1,7-dimethylbenzimidazole;1,7-dimethyl-5H-cyclopenta[c]pyridine;4,5-dimethyl-7H-cyclopenta[c]pyridine;3,4-dimethyl-1H-indene;1,7-dimethylpyrazolo[5,4-c]pyridine;1,7-dimethylpyrrolo[3,2-b]pyridine;1,7-dimethylpyrrolo[2,3-c]pyridine;1,7-dimethylpyrrolo[3,2-c]pyridine;4,5-dimethylpyrrolo[3,2-d]pyrimidine;ethane

C101H146N16 — CID 158045457

IUPAC1,7-dimethylbenzimidazole;1,7-dimethyl-5H-cyclopenta[c]pyridine;4,5-dimethyl-7H-cyclopenta[c]pyridine;3,4-dimethyl-1H-indene;1,7-dimethylpyrazolo[5,4-c]pyridine;1,7-dimethylpyrrolo[3,2-b]pyridine;1,7-dimethylpyrrolo[2,3-c]pyridine;1,7-dimethylpyrrolo[3,2-c]pyridine;4,5-dimethylpyrrolo[3,2-d]pyrimidine;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CCc2cccc(C)c21.CC1=CCc2ccnc(C)c21.CC1=CCc2cncc(C)c21.Cc1cccc2ncn(C)c12.Cc1ccnc2ccn(C)c12.Cc1cncc2ccn(C)c12.Cc1nccc2ccn(C)c12.Cc1nccc2cnn(C)c12.Cc1ncnc2ccn(C)c12
InChIInChI=1S/C11H12.2C10H11N.4C9H10N2.2C8H9N3.9C2H6/c1-8-4-3-5-10-7-6-9(2)11(8)10;1-7-3-4-9-6-11-5-8(2)10(7)9;1-7-3-4-9-5-6-11-8(2)10(7)9;1-7-9-8(3-5-10-7)4-6-11(9)2;1-7-3-5-10-8-4-6-11(2)9(7)8;1-7-5-10-6-8-3-4-11(2)9(7)8;1-7-4-3-5-8-9(7)11(2)6-10-8;1-6-8-7(10-5-9-6)3-4-11(8)2;1-6-8-7(3-4-9-6)5-10-11(8)2;9*1-2/h3-6H,7H2,1-2H3;2*3,5-6H,4H2,1-2H3;4*3-6H,1-2H3;2*3-5H,1-2H3;9*1-2H3
InChIKeyFIVVQTGDTQJWAW-UHFFFAOYSA-N
MW1584.39 g/mol
LogP26.97
Rot. Bonds

About 1,7-dimethylbenzimidazole;1,7-dimethyl-5H-cyclopenta[c]pyridine;4,5-dimethyl-7H-cyclopenta[c]pyridine;3,4-dimethyl-1H-indene;1,7-dimethylpyrazolo[5,4-c]pyridine;1,7-dimethylpyrrolo[3,2-b]pyridine;1,7-dimethylpyrrolo[2,3-c]pyridine;1,7-dimethylpyrrolo[3,2-c]pyridine;4,5-dimethylpyrrolo[3,2-d]pyrimidine;ethane

1,7-dimethylbenzimidazole;1,7-dimethyl-5H-cyclopenta[c]pyridine;4,5-dimethyl-7H-cyclopenta[c]pyridine;3,4-dimethyl-1H-indene;1,7-dimethylpyrazolo[5,4-c]pyridine;1,7-dimethylpyrrolo[3,2-b]pyridine;1,7-dimethylpyrrolo[2,3-c]pyridine;1,7-dimethylpyrrolo[3,2-c]pyridine;4,5-dimethylpyrrolo[3,2-d]pyrimidine;ethane (PubChem CID 158045457) has the molecular formula C101H146N16 and a molecular weight of 1584.39 g/mol. Its IUPAC name is 1,7-dimethylbenzimidazole;1,7-dimethyl-5H-cyclopenta[c]pyridine;4,5-dimethyl-7H-cyclopenta[c]pyridine;3,4-dimethyl-1H-indene;1,7-dimethylpyrazolo[5,4-c]pyridine;1,7-dimethylpyrrolo[3,2-b]pyridine;1,7-dimethylpyrrolo[2,3-c]pyridine;1,7-dimethylpyrrolo[3,2-c]pyridine;4,5-dimethylpyrrolo[3,2-d]pyrimidine;ethane.

Molecular Properties

Compound Name1,7-dimethylbenzimidazole;1,7-dimethyl-5H-cyclopenta[c]pyridine;4,5-dimethyl-7H-cyclopenta[c]pyridine;3,4-dimethyl-1H-indene;1,7-dimethylpyrazolo[5,4-c]pyridine;1,7-dimethylpyrrolo[3,2-b]pyridine;1,7-dimethylpyrrolo[2,3-c]pyridine;1,7-dimethylpyrrolo[3,2-c]pyridine;4,5-dimethylpyrrolo[3,2-d]pyrimidine;ethane
PubChem CID158045457
Molecular FormulaC101H146N16
Molecular Weight1584.39 g/mol
Exact Mass1583.19
IUPAC Name1,7-dimethylbenzimidazole;1,7-dimethyl-5H-cyclopenta[c]pyridine;4,5-dimethyl-7H-cyclopenta[c]pyridine;3,4-dimethyl-1H-indene;1,7-dimethylpyrazolo[5,4-c]pyridine;1,7-dimethylpyrrolo[3,2-b]pyridine;1,7-dimethylpyrrolo[2,3-c]pyridine;1,7-dimethylpyrrolo[3,2-c]pyridine;4,5-dimethylpyrrolo[3,2-d]pyrimidine;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CCc2cccc(C)c21.CC1=CCc2ccnc(C)c21.CC1=CCc2cncc(C)c21.Cc1cccc2ncn(C)c12.Cc1ccnc2ccn(C)c12.Cc1cncc2ccn(C)c12.Cc1nccc2ccn(C)c12.Cc1nccc2cnn(C)c12.Cc1ncnc2ccn(C)c12
InChIInChI=1S/C11H12.2C10H11N.4C9H10N2.2C8H9N3.9C2H6/c1-8-4-3-5-10-7-6-9(2)11(8)10;1-7-3-4-9-6-11-5-8(2)10(7)9;1-7-3-4-9-5-6-11-8(2)10(7)9;1-7-9-8(3-5-10-7)4-6-11(9)2;1-7-3-5-10-8-4-6-11(2)9(7)8;1-7-5-10-6-8-3-4-11(2)9(7)8;1-7-4-3-5-8-9(7)11(2)6-10-8;1-6-8-7(10-5-9-6)3-4-11(8)2;1-6-8-7(3-4-9-6)5-10-11(8)2;9*1-2/h3-6H,7H2,1-2H3;2*3,5-6H,4H2,1-2H3;4*3-6H,1-2H3;2*3-5H,1-2H3;9*1-2H3
InChIKeyFIVVQTGDTQJWAW-UHFFFAOYSA-N
XLogP26.97
TPSA158.48 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001584.39
LogP ≤ 526.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 1,7-dimethylbenzimidazole;1,7-dimethyl-5H-cyclopenta[c]pyridine;4,5-dimethyl-7H-cyclopenta[c]pyridine;3,4-dimethyl-1H-indene;1,7-dimethylpyrazolo[5,4-c]pyridine;1,7-dimethylpyrrolo[3,2-b]pyridine;1,7-dimethylpyrrolo[2,3-c]pyridine;1,7-dimethylpyrrolo[3,2-c]pyridine;4,5-dimethylpyrrolo[3,2-d]pyrimidine;ethane with MolForge

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Related Compounds

1,7-dimethylbenzimidazole;1,7-dimethylindazole;1,7-dimethylindole;1,7-dimethylpyrazolo[4,5-c]pyridine;1,7-dimethylpyrrolo[3,2-b]pyridine;1,7-dimethylpyrrolo[2,3-c]pyridine;1,7-dimethylpyrrolo[3,2-c]pyridine;4,5-dimethylpyrrolo[3,2-d]pyrimidine;ethane
CID 159374140
1,7-dimethylpyrrolo[3,2-c]pyridine
CID 130352000
ethane;1,2,7-trimethylbenzimidazole;4,5,6-trimethyl-7H-cyclopenta[b]pyridine;1,6,7-trimethyl-5H-cyclopenta[c]pyridine;4,5,6-trimethyl-7H-cyclopenta[c]pyridine;1,2,7-trimethylimidazo[4,5-b]pyridine;1,2,7-trimethylimidazo[4,5-c]pyridine;2,3,4-trimethylimidazo[4,5-c]pyridine;2,3,4-trimethyl-1H-indene;1,2,7-trimethylpyrrolo[3,2-b]pyridine;1,2,7-trimethylpyrrolo[3,2-c]pyridine
CID 162043238
ethane;1,2,7-trimethylbenzimidazole;1,2,7-trimethylimidazo[4,5-b]pyridine;1,2,7-trimethylimidazo[4,5-c]pyridine;2,3,4-trimethylimidazo[4,5-c]pyridine;2,3,4-trimethyl-1H-indene;1,2,7-trimethylpyrrolo[2,3-c]pyridine
CID 159030763
ethane;4,5,6-trimethyl-7H-cyclopenta[b]pyridine;1,6,7-trimethyl-5H-cyclopenta[c]pyridine;4,5,6-trimethyl-7H-cyclopenta[c]pyridine;2,3,4-trimethyl-1H-indene;1,2,8-trimethylindolizine;4,5,6-trimethylpyrrolo[1,2-b]pyridazine
CID 161204846
2,4,5-triazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaene
CID 45078299
5-methylpyrrolo[3,2-d]pyrimidin-4-amine
CID 140546052
1,9-dimethylimidazo[4,5-c]quinoline
CID 10442691
6-chloro-9-methylpurine;1,4-dimethylbenzimidazole;3-iodo-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methylbenzimidazole;1-methylimidazole;4-methylmorpholine;9-methylpurin-6-amine;6-methyl-7H-purine;1-methylpyrazolo[3,4-b]pyridin-4-amine;1,3,7-trimethylpurine-2,6-dione
CID 158922544
7-methyl-1-(2-methylsulfonylethyl)benzimidazol-2-amine
CID 115552322
3-methylbenzimidazol-4-ol
CID 3771453
1,7-dimethylbenzimidazol-2-amine;ethane
CID 170767427

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethylbenzimidazole;1,7-dimethyl-5H-cyclopenta[c]pyridine;4,5-dimethyl-7H-cyclopenta[c]pyridine;3,4-dimethyl-1H-indene;1,7-dimethylpyrazolo[5,4-c]pyridine;1,7-dimethylpyrrolo[3,2-b]pyridine;1,7-dimethylpyrrolo[2,3-c]pyridine;1,7-dimethylpyrrolo[3,2-c]pyridine;4,5-dimethylpyrrolo[3,2-d]pyrimidine;ethane?
The IUPAC name of 1,7-dimethylbenzimidazole;1,7-dimethyl-5H-cyclopenta[c]pyridine;4,5-dimethyl-7H-cyclopenta[c]pyridine;3,4-dimethyl-1H-indene;1,7-dimethylpyrazolo[5,4-c]pyridine;1,7-dimethylpyrrolo[3,2-b]pyridine;1,7-dimethylpyrrolo[2,3-c]pyridine;1,7-dimethylpyrrolo[3,2-c]pyridine;4,5-dimethylpyrrolo[3,2-d]pyrimidine;ethane (CID 158045457) is 1,7-dimethylbenzimidazole;1,7-dimethyl-5H-cyclopenta[c]pyridine;4,5-dimethyl-7H-cyclopenta[c]pyridine;3,4-dimethyl-1H-indene;1,7-dimethylpyrazolo[5,4-c]pyridine;1,7-dimethylpyrrolo[3,2-b]pyridine;1,7-dimethylpyrrolo[2,3-c]pyridine;1,7-dimethylpyrrolo[3,2-c]pyridine;4,5-dimethylpyrrolo[3,2-d]pyrimidine;ethane.
What is the SMILES notation for 1,7-dimethylbenzimidazole;1,7-dimethyl-5H-cyclopenta[c]pyridine;4,5-dimethyl-7H-cyclopenta[c]pyridine;3,4-dimethyl-1H-indene;1,7-dimethylpyrazolo[5,4-c]pyridine;1,7-dimethylpyrrolo[3,2-b]pyridine;1,7-dimethylpyrrolo[2,3-c]pyridine;1,7-dimethylpyrrolo[3,2-c]pyridine;4,5-dimethylpyrrolo[3,2-d]pyrimidine;ethane?
The canonical SMILES for 1,7-dimethylbenzimidazole;1,7-dimethyl-5H-cyclopenta[c]pyridine;4,5-dimethyl-7H-cyclopenta[c]pyridine;3,4-dimethyl-1H-indene;1,7-dimethylpyrazolo[5,4-c]pyridine;1,7-dimethylpyrrolo[3,2-b]pyridine;1,7-dimethylpyrrolo[2,3-c]pyridine;1,7-dimethylpyrrolo[3,2-c]pyridine;4,5-dimethylpyrrolo[3,2-d]pyrimidine;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CCc2cccc(C)c21.CC1=CCc2ccnc(C)c21.CC1=CCc2cncc(C)c21.Cc1cccc2ncn(C)c12.Cc1ccnc2ccn(C)c12.Cc1cncc2ccn(C)c12.Cc1nccc2ccn(C)c12.Cc1nccc2cnn(C)c12.Cc1ncnc2ccn(C)c12.
What is the InChIKey of 1,7-dimethylbenzimidazole;1,7-dimethyl-5H-cyclopenta[c]pyridine;4,5-dimethyl-7H-cyclopenta[c]pyridine;3,4-dimethyl-1H-indene;1,7-dimethylpyrazolo[5,4-c]pyridine;1,7-dimethylpyrrolo[3,2-b]pyridine;1,7-dimethylpyrrolo[2,3-c]pyridine;1,7-dimethylpyrrolo[3,2-c]pyridine;4,5-dimethylpyrrolo[3,2-d]pyrimidine;ethane?
The InChIKey is FIVVQTGDTQJWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12.2C10H11N.4C9H10N2.2C8H9N3.9C2H6/c1-8-4-3-5-10-7-6-9(2)11(8)10;1-7-3-4-9-6-11-5-8(2)10(7)9;1-7-3-4-9-5-6-11-8(2)10(7)9;1-7-9-8(3-5-10-7)4-6-11(9)2;1-7-3-5-10-8-4-6-11(2)9(7)8;1-7-5-10-6-8-3-4-11(2)9(7)8;1-7-4-3-5-8-9(7)11(2)6-10-8;1-6-8-7(10-5-9-6)3-4-11(8)2;1-6-8-7(3-4-9-6)5-10-11(8)2;9*1-2/h3-6H,7H2,1-2H3;2*3,5-6H,4H2,1-2H3;4*3-6H,1-2H3;2*3-5H,1-2H3;9*1-2H3.
What are the key properties of 1,7-dimethylbenzimidazole;1,7-dimethyl-5H-cyclopenta[c]pyridine;4,5-dimethyl-7H-cyclopenta[c]pyridine;3,4-dimethyl-1H-indene;1,7-dimethylpyrazolo[5,4-c]pyridine;1,7-dimethylpyrrolo[3,2-b]pyridine;1,7-dimethylpyrrolo[2,3-c]pyridine;1,7-dimethylpyrrolo[3,2-c]pyridine;4,5-dimethylpyrrolo[3,2-d]pyrimidine;ethane?
1,7-dimethylbenzimidazole;1,7-dimethyl-5H-cyclopenta[c]pyridine;4,5-dimethyl-7H-cyclopenta[c]pyridine;3,4-dimethyl-1H-indene;1,7-dimethylpyrazolo[5,4-c]pyridine;1,7-dimethylpyrrolo[3,2-b]pyridine;1,7-dimethylpyrrolo[2,3-c]pyridine;1,7-dimethylpyrrolo[3,2-c]pyridine;4,5-dimethylpyrrolo[3,2-d]pyrimidine;ethane has a molecular weight of 1584.39 g/mol, XLogP of 26.97, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethylbenzimidazole;1,7-dimethyl-5H-cyclopenta[c]pyridine;4,5-dimethyl-7H-cyclopenta[c]pyridine;3,4-dimethyl-1H-indene;1,7-dimethylpyrazolo[5,4-c]pyridine;1,7-dimethylpyrrolo[3,2-b]pyridine;1,7-dimethylpyrrolo[2,3-c]pyridine;1,7-dimethylpyrrolo[3,2-c]pyridine;4,5-dimethylpyrrolo[3,2-d]pyrimidine;ethane is sourced from PubChem (CID 158045457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).