1,2-dimethyl-5-(2-methylpropyl)benzimidazole;1,2-dimethyl-6-(2-methylpropyl)benzimidazole;bis(2-methyl-5-(2-methylpropyl)-3H-indole);2-methyl-5-(2-methylpropyl)-3H-pyrrolo[2,3-b]pyridine;5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-1-benzofuran;6-(2-methylpropyl)-1H-indene;5-(2-methylpropyl)-3H-indole;5-(2-methylpropyl)-2-propan-2-yl-3H-indole;6-(2-methylpropyl)quinoline

C140H181N11O3 — CID 158034963

IUPAC1,2-dimethyl-5-(2-methylpropyl)benzimidazole;1,2-dimethyl-6-(2-methylpropyl)benzimidazole;bis(2-methyl-5-(2-methylpropyl)-3H-indole);2-methyl-5-(2-methylpropyl)-3H-pyrrolo[2,3-b]pyridine;5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-1-benzofuran;6-(2-methylpropyl)-1H-indene;5-(2-methylpropyl)-3H-indole;5-(2-methylpropyl)-2-propan-2-yl-3H-indole;6-(2-methylpropyl)quinoline
SMILESCC(C)Cc1ccc2c(c1)CC(C(C)C)=N2.CC(C)Cc1ccc2c(c1)CC=C2.CC(C)Cc1ccc2c(c1)CC=N2.CC(C)Cc1ccc2c(c1)OCO2.CC(C)Cc1ccc2ccoc2c1.CC(C)Cc1ccc2ncccc2c1.CC1=Nc2ccc(CC(C)C)cc2C1.CC1=Nc2ccc(CC(C)C)cc2C1.CC1=Nc2ncc(CC(C)C)cc2C1.Cc1nc2cc(CC(C)C)ccc2n1C.Cc1nc2ccc(CC(C)C)cc2n1C
InChIInChI=1S/C15H21N.2C13H18N2.2C13H17N.C13H15N.C13H16.C12H16N2.C12H15N.C12H14O.C11H14O2/c1-10(2)7-12-5-6-14-13(8-12)9-15(16-14)11(3)4;1-9(2)7-11-5-6-13-12(8-11)14-10(3)15(13)4;1-9(2)7-11-5-6-12-13(8-11)15(4)10(3)14-12;2*1-9(2)6-11-4-5-13-12(8-11)7-10(3)14-13;1-10(2)8-11-5-6-13-12(9-11)4-3-7-14-13;1-10(2)8-11-6-7-12-4-3-5-13(12)9-11;1-8(2)4-10-6-11-5-9(3)14-12(11)13-7-10;1-9(2)7-10-3-4-12-11(8-10)5-6-13-12;1-9(2)7-10-3-4-11-5-6-13-12(11)8-10;1-8(2)5-9-3-4-10-11(6-9)13-7-12-10/h5-6,8,10-11H,7,9H2,1-4H3;2*5-6,8-9H,7H2,1-4H3;2*4-5,8-9H,6-7H2,1-3H3;3-7,9-10H,8H2,1-2H3;3-4,6-7,9-10H,5,8H2,1-2H3;6-8H,4-5H2,1-3H3;3-4,6,8-9H,5,7H2,1-2H3;3-6,8-9H,7H2,1-2H3;3-4,6,8H,5,7H2,1-2H3
InChIKeyFHQDIGVBAPAYRF-UHFFFAOYSA-N
MW2066.06 g/mol
LogP36.60
Rot. Bonds23

About 1,2-dimethyl-5-(2-methylpropyl)benzimidazole;1,2-dimethyl-6-(2-methylpropyl)benzimidazole;bis(2-methyl-5-(2-methylpropyl)-3H-indole);2-methyl-5-(2-methylpropyl)-3H-pyrrolo[2,3-b]pyridine;5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-1-benzofuran;6-(2-methylpropyl)-1H-indene;5-(2-methylpropyl)-3H-indole;5-(2-methylpropyl)-2-propan-2-yl-3H-indole;6-(2-methylpropyl)quinoline

1,2-dimethyl-5-(2-methylpropyl)benzimidazole;1,2-dimethyl-6-(2-methylpropyl)benzimidazole;bis(2-methyl-5-(2-methylpropyl)-3H-indole);2-methyl-5-(2-methylpropyl)-3H-pyrrolo[2,3-b]pyridine;5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-1-benzofuran;6-(2-methylpropyl)-1H-indene;5-(2-methylpropyl)-3H-indole;5-(2-methylpropyl)-2-propan-2-yl-3H-indole;6-(2-methylpropyl)quinoline (PubChem CID 158034963) has the molecular formula C140H181N11O3 and a molecular weight of 2066.06 g/mol. Its IUPAC name is 1,2-dimethyl-5-(2-methylpropyl)benzimidazole;1,2-dimethyl-6-(2-methylpropyl)benzimidazole;bis(2-methyl-5-(2-methylpropyl)-3H-indole);2-methyl-5-(2-methylpropyl)-3H-pyrrolo[2,3-b]pyridine;5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-1-benzofuran;6-(2-methylpropyl)-1H-indene;5-(2-methylpropyl)-3H-indole;5-(2-methylpropyl)-2-propan-2-yl-3H-indole;6-(2-methylpropyl)quinoline.

Molecular Properties

Compound Name1,2-dimethyl-5-(2-methylpropyl)benzimidazole;1,2-dimethyl-6-(2-methylpropyl)benzimidazole;bis(2-methyl-5-(2-methylpropyl)-3H-indole);2-methyl-5-(2-methylpropyl)-3H-pyrrolo[2,3-b]pyridine;5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-1-benzofuran;6-(2-methylpropyl)-1H-indene;5-(2-methylpropyl)-3H-indole;5-(2-methylpropyl)-2-propan-2-yl-3H-indole;6-(2-methylpropyl)quinoline
PubChem CID158034963
Molecular FormulaC140H181N11O3
Molecular Weight2066.06 g/mol
Exact Mass2064.43
IUPAC Name1,2-dimethyl-5-(2-methylpropyl)benzimidazole;1,2-dimethyl-6-(2-methylpropyl)benzimidazole;bis(2-methyl-5-(2-methylpropyl)-3H-indole);2-methyl-5-(2-methylpropyl)-3H-pyrrolo[2,3-b]pyridine;5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-1-benzofuran;6-(2-methylpropyl)-1H-indene;5-(2-methylpropyl)-3H-indole;5-(2-methylpropyl)-2-propan-2-yl-3H-indole;6-(2-methylpropyl)quinoline
SMILESCC(C)Cc1ccc2c(c1)CC(C(C)C)=N2.CC(C)Cc1ccc2c(c1)CC=C2.CC(C)Cc1ccc2c(c1)CC=N2.CC(C)Cc1ccc2c(c1)OCO2.CC(C)Cc1ccc2ccoc2c1.CC(C)Cc1ccc2ncccc2c1.CC1=Nc2ccc(CC(C)C)cc2C1.CC1=Nc2ccc(CC(C)C)cc2C1.CC1=Nc2ncc(CC(C)C)cc2C1.Cc1nc2cc(CC(C)C)ccc2n1C.Cc1nc2ccc(CC(C)C)cc2n1C
InChIInChI=1S/C15H21N.2C13H18N2.2C13H17N.C13H15N.C13H16.C12H16N2.C12H15N.C12H14O.C11H14O2/c1-10(2)7-12-5-6-14-13(8-12)9-15(16-14)11(3)4;1-9(2)7-11-5-6-13-12(8-11)14-10(3)15(13)4;1-9(2)7-11-5-6-12-13(8-11)15(4)10(3)14-12;2*1-9(2)6-11-4-5-13-12(8-11)7-10(3)14-13;1-10(2)8-11-5-6-13-12(9-11)4-3-7-14-13;1-10(2)8-11-6-7-12-4-3-5-13(12)9-11;1-8(2)4-10-6-11-5-9(3)14-12(11)13-7-10;1-9(2)7-10-3-4-12-11(8-10)5-6-13-12;1-9(2)7-10-3-4-11-5-6-13-12(11)8-10;1-8(2)5-9-3-4-10-11(6-9)13-7-12-10/h5-6,8,10-11H,7,9H2,1-4H3;2*5-6,8-9H,7H2,1-4H3;2*4-5,8-9H,6-7H2,1-3H3;3-7,9-10H,8H2,1-2H3;3-4,6-7,9-10H,5,8H2,1-2H3;6-8H,4-5H2,1-3H3;3-4,6,8-9H,5,7H2,1-2H3;3-6,8-9H,7H2,1-2H3;3-4,6,8H,5,7H2,1-2H3
InChIKeyFHQDIGVBAPAYRF-UHFFFAOYSA-N
XLogP36.60
TPSA154.82 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds23
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002066.06
LogP ≤ 536.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 1,2-dimethyl-5-(2-methylpropyl)benzimidazole;1,2-dimethyl-6-(2-methylpropyl)benzimidazole;bis(2-methyl-5-(2-methylpropyl)-3H-indole);2-methyl-5-(2-methylpropyl)-3H-pyrrolo[2,3-b]pyridine;5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-1-benzofuran;6-(2-methylpropyl)-1H-indene;5-(2-methylpropyl)-3H-indole;5-(2-methylpropyl)-2-propan-2-yl-3H-indole;6-(2-methylpropyl)quinoline with MolForge

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Related Compounds

(14E)-14-[1-benzofuran-4-yl(1-benzofuran-7-yl)methylidene]-5-fluoro-19-pyridin-4-yl-8,11,13,15,17,20-hexazaheptacyclo[13.10.1.12,6.07,12.016,21.022,26.013,27]heptacosa-1(26),2(27),3,5,7,9,11,16,18,20,22,24-dodecaene
CID 156233719
1-(2,6-diphenylphenyl)-2-[5-(4-fluorophenyl)-9H-naphtho[2,1-b][1]benzofuran-9-id-8-yl]benzimidazole;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)germane)
CID 157463071
bis(4-tert-butyl-1H-benzimidazole);2-tert-butyl-1-benzofuran;2-tert-butyl-1H-indole;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;fluoromethane;bis(8-propan-2-yl-4H-1,3-benzodioxine);4-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-2,3-dihydro-1-benzofuran;8-propan-2-yl-3,4-dihydro-2H-chromene
CID 160383866
bis(4-tert-butyl-1H-benzimidazole);2-tert-butyl-1-benzofuran;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;fluoromethane;bis(8-propan-2-yl-4H-1,3-benzodioxine);4-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-2,3-dihydro-1-benzofuran;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-1H-indole
CID 160666913
(14E)-14-[1-benzofuran-4-yl(1-benzofuran-7-yl)methylidene]-5-fluoro-19-phenyl-8,11,13,15,17,20-hexazaheptacyclo[13.10.1.12,6.07,12.016,21.022,26.013,27]heptacosa-1(26),2(27),3,5,7,9,11,16,18,20,22,24-dodecaene
CID 160767282
15-dibenzofuran-2-yl-20-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;15-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-oxa-17,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;4-(19-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-15-yl)-N,N-diphenylaniline;12-phenyl-17-oxa-9-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1,3,5,7,9,11,13,15,18,20,22,24-dodecaene;12-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-17-oxa-10-azahexacyclo[12.11.0.02,11.04,9.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene
CID 161212579
1-butoxy-4-tert-butylbenzene;2-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;2-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-4-ethoxybenzene;2-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;2-tert-butyl-6-methoxynaphthalene;2-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;1-tert-butyl-4-(2-methylpropyl)benzene;2-tert-butylnaphthalene;2-tert-butyl-3-propan-2-yl-1H-indole;3-tert-butylquinoline;2-tert-butyl-6-(trifluoromethyl)-1H-benzimidazole;2,6-ditert-butyl-1H-benzimidazole
CID 162206945
iridium;2-[7-(5,5,6,6,7,7,8,8-octafluoronaphthalen-2-yl)-3H-dibenzofuran-3-id-4-yl]-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenylpyridine
CID 165383612
iridium;6,6,7,7,8,8,9,9-octafluoro-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;2-phenylpyridine
CID 165383694
2-(3H-dibenzofuran-3-id-4-yl)-6,6,7,7,8,8,9,9-octafluoro-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;iridium;2-phenylpyridine
CID 165383754
iridium;2-(1,1,2,2,3,3,4,4-octafluoro-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenylpyridine
CID 165383787
iridium;2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 168145216

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-(2-methylpropyl)benzimidazole;1,2-dimethyl-6-(2-methylpropyl)benzimidazole;bis(2-methyl-5-(2-methylpropyl)-3H-indole);2-methyl-5-(2-methylpropyl)-3H-pyrrolo[2,3-b]pyridine;5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-1-benzofuran;6-(2-methylpropyl)-1H-indene;5-(2-methylpropyl)-3H-indole;5-(2-methylpropyl)-2-propan-2-yl-3H-indole;6-(2-methylpropyl)quinoline?
The IUPAC name of 1,2-dimethyl-5-(2-methylpropyl)benzimidazole;1,2-dimethyl-6-(2-methylpropyl)benzimidazole;bis(2-methyl-5-(2-methylpropyl)-3H-indole);2-methyl-5-(2-methylpropyl)-3H-pyrrolo[2,3-b]pyridine;5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-1-benzofuran;6-(2-methylpropyl)-1H-indene;5-(2-methylpropyl)-3H-indole;5-(2-methylpropyl)-2-propan-2-yl-3H-indole;6-(2-methylpropyl)quinoline (CID 158034963) is 1,2-dimethyl-5-(2-methylpropyl)benzimidazole;1,2-dimethyl-6-(2-methylpropyl)benzimidazole;bis(2-methyl-5-(2-methylpropyl)-3H-indole);2-methyl-5-(2-methylpropyl)-3H-pyrrolo[2,3-b]pyridine;5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-1-benzofuran;6-(2-methylpropyl)-1H-indene;5-(2-methylpropyl)-3H-indole;5-(2-methylpropyl)-2-propan-2-yl-3H-indole;6-(2-methylpropyl)quinoline.
What is the SMILES notation for 1,2-dimethyl-5-(2-methylpropyl)benzimidazole;1,2-dimethyl-6-(2-methylpropyl)benzimidazole;bis(2-methyl-5-(2-methylpropyl)-3H-indole);2-methyl-5-(2-methylpropyl)-3H-pyrrolo[2,3-b]pyridine;5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-1-benzofuran;6-(2-methylpropyl)-1H-indene;5-(2-methylpropyl)-3H-indole;5-(2-methylpropyl)-2-propan-2-yl-3H-indole;6-(2-methylpropyl)quinoline?
The canonical SMILES for 1,2-dimethyl-5-(2-methylpropyl)benzimidazole;1,2-dimethyl-6-(2-methylpropyl)benzimidazole;bis(2-methyl-5-(2-methylpropyl)-3H-indole);2-methyl-5-(2-methylpropyl)-3H-pyrrolo[2,3-b]pyridine;5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-1-benzofuran;6-(2-methylpropyl)-1H-indene;5-(2-methylpropyl)-3H-indole;5-(2-methylpropyl)-2-propan-2-yl-3H-indole;6-(2-methylpropyl)quinoline is CC(C)Cc1ccc2c(c1)CC(C(C)C)=N2.CC(C)Cc1ccc2c(c1)CC=C2.CC(C)Cc1ccc2c(c1)CC=N2.CC(C)Cc1ccc2c(c1)OCO2.CC(C)Cc1ccc2ccoc2c1.CC(C)Cc1ccc2ncccc2c1.CC1=Nc2ccc(CC(C)C)cc2C1.CC1=Nc2ccc(CC(C)C)cc2C1.CC1=Nc2ncc(CC(C)C)cc2C1.Cc1nc2cc(CC(C)C)ccc2n1C.Cc1nc2ccc(CC(C)C)cc2n1C.
What is the InChIKey of 1,2-dimethyl-5-(2-methylpropyl)benzimidazole;1,2-dimethyl-6-(2-methylpropyl)benzimidazole;bis(2-methyl-5-(2-methylpropyl)-3H-indole);2-methyl-5-(2-methylpropyl)-3H-pyrrolo[2,3-b]pyridine;5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-1-benzofuran;6-(2-methylpropyl)-1H-indene;5-(2-methylpropyl)-3H-indole;5-(2-methylpropyl)-2-propan-2-yl-3H-indole;6-(2-methylpropyl)quinoline?
The InChIKey is FHQDIGVBAPAYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N.2C13H18N2.2C13H17N.C13H15N.C13H16.C12H16N2.C12H15N.C12H14O.C11H14O2/c1-10(2)7-12-5-6-14-13(8-12)9-15(16-14)11(3)4;1-9(2)7-11-5-6-13-12(8-11)14-10(3)15(13)4;1-9(2)7-11-5-6-12-13(8-11)15(4)10(3)14-12;2*1-9(2)6-11-4-5-13-12(8-11)7-10(3)14-13;1-10(2)8-11-5-6-13-12(9-11)4-3-7-14-13;1-10(2)8-11-6-7-12-4-3-5-13(12)9-11;1-8(2)4-10-6-11-5-9(3)14-12(11)13-7-10;1-9(2)7-10-3-4-12-11(8-10)5-6-13-12;1-9(2)7-10-3-4-11-5-6-13-12(11)8-10;1-8(2)5-9-3-4-10-11(6-9)13-7-12-10/h5-6,8,10-11H,7,9H2,1-4H3;2*5-6,8-9H,7H2,1-4H3;2*4-5,8-9H,6-7H2,1-3H3;3-7,9-10H,8H2,1-2H3;3-4,6-7,9-10H,5,8H2,1-2H3;6-8H,4-5H2,1-3H3;3-4,6,8-9H,5,7H2,1-2H3;3-6,8-9H,7H2,1-2H3;3-4,6,8H,5,7H2,1-2H3.
What are the key properties of 1,2-dimethyl-5-(2-methylpropyl)benzimidazole;1,2-dimethyl-6-(2-methylpropyl)benzimidazole;bis(2-methyl-5-(2-methylpropyl)-3H-indole);2-methyl-5-(2-methylpropyl)-3H-pyrrolo[2,3-b]pyridine;5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-1-benzofuran;6-(2-methylpropyl)-1H-indene;5-(2-methylpropyl)-3H-indole;5-(2-methylpropyl)-2-propan-2-yl-3H-indole;6-(2-methylpropyl)quinoline?
1,2-dimethyl-5-(2-methylpropyl)benzimidazole;1,2-dimethyl-6-(2-methylpropyl)benzimidazole;bis(2-methyl-5-(2-methylpropyl)-3H-indole);2-methyl-5-(2-methylpropyl)-3H-pyrrolo[2,3-b]pyridine;5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-1-benzofuran;6-(2-methylpropyl)-1H-indene;5-(2-methylpropyl)-3H-indole;5-(2-methylpropyl)-2-propan-2-yl-3H-indole;6-(2-methylpropyl)quinoline has a molecular weight of 2066.06 g/mol, XLogP of 36.60, 23 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-(2-methylpropyl)benzimidazole;1,2-dimethyl-6-(2-methylpropyl)benzimidazole;bis(2-methyl-5-(2-methylpropyl)-3H-indole);2-methyl-5-(2-methylpropyl)-3H-pyrrolo[2,3-b]pyridine;5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-1-benzofuran;6-(2-methylpropyl)-1H-indene;5-(2-methylpropyl)-3H-indole;5-(2-methylpropyl)-2-propan-2-yl-3H-indole;6-(2-methylpropyl)quinoline is sourced from PubChem (CID 158034963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).