7-chloro-2-methyl-1-(2-methylpropyl)benzimidazole;7-chloro-2-methyl-1-propylbenzimidazole;1-cyclopropyl-2-methyl-6-(trifluoromethyl)benzimidazole;4,5-difluoro-2-methyl-1-propylbenzimidazole;6-fluoro-2-methyl-1H-benzimidazole;5-fluoro-2-methyl-1-propan-2-ylbenzimidazole;6-fluoro-2-methyl-1-propylbenzimidazole;2-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene

C87H96Cl2F8N16 — CID 158663104

IUPAC7-chloro-2-methyl-1-(2-methylpropyl)benzimidazole;7-chloro-2-methyl-1-propylbenzimidazole;1-cyclopropyl-2-methyl-6-(trifluoromethyl)benzimidazole;4,5-difluoro-2-methyl-1-propylbenzimidazole;6-fluoro-2-methyl-1H-benzimidazole;5-fluoro-2-methyl-1-propan-2-ylbenzimidazole;6-fluoro-2-methyl-1-propylbenzimidazole;2-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
SMILESCCCn1c(C)nc2c(F)c(F)ccc21.CCCn1c(C)nc2ccc(F)cc21.CCCn1c(C)nc2cccc(Cl)c21.Cc1nc2cc(F)ccc2n1C(C)C.Cc1nc2ccc(C(F)(F)F)cc2n1C1CC1.Cc1nc2ccc(F)cc2[nH]1.Cc1nc2cccc(Cl)c2n1CC(C)C.Cc1nc2cccc3c2n1CCC3
InChIInChI=1S/C12H15ClN2.C12H11F3N2.C11H13ClN2.C11H12F2N2.2C11H13FN2.C11H12N2.C8H7FN2/c1-8(2)7-15-9(3)14-11-6-4-5-10(13)12(11)15;1-7-16-10-5-2-8(12(13,14)15)6-11(10)17(7)9-3-4-9;1-3-7-14-8(2)13-10-6-4-5-9(12)11(10)14;1-3-6-15-7(2)14-11-9(15)5-4-8(12)10(11)13;1-7(2)14-8(3)13-10-6-9(12)4-5-11(10)14;1-3-6-14-8(2)13-10-5-4-9(12)7-11(10)14;1-8-12-10-6-2-4-9-5-3-7-13(8)11(9)10;1-5-10-7-3-2-6(9)4-8(7)11-5/h4-6,8H,7H2,1-3H3;2,5-6,9H,3-4H2,1H3;4-6H,3,7H2,1-2H3;4-5H,3,6H2,1-2H3;4-7H,1-3H3;4-5,7H,3,6H2,1-2H3;2,4,6H,3,5,7H2,1H3;2-4H,1H3,(H,10,11)
InChIKeyICZSEUQKWPKDMJ-UHFFFAOYSA-N
MW1588.73 g/mol
LogP24.05
Rot. Bonds10

About 7-chloro-2-methyl-1-(2-methylpropyl)benzimidazole;7-chloro-2-methyl-1-propylbenzimidazole;1-cyclopropyl-2-methyl-6-(trifluoromethyl)benzimidazole;4,5-difluoro-2-methyl-1-propylbenzimidazole;6-fluoro-2-methyl-1H-benzimidazole;5-fluoro-2-methyl-1-propan-2-ylbenzimidazole;6-fluoro-2-methyl-1-propylbenzimidazole;2-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene

7-chloro-2-methyl-1-(2-methylpropyl)benzimidazole;7-chloro-2-methyl-1-propylbenzimidazole;1-cyclopropyl-2-methyl-6-(trifluoromethyl)benzimidazole;4,5-difluoro-2-methyl-1-propylbenzimidazole;6-fluoro-2-methyl-1H-benzimidazole;5-fluoro-2-methyl-1-propan-2-ylbenzimidazole;6-fluoro-2-methyl-1-propylbenzimidazole;2-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene (PubChem CID 158663104) has the molecular formula C87H96Cl2F8N16 and a molecular weight of 1588.73 g/mol. Its IUPAC name is 7-chloro-2-methyl-1-(2-methylpropyl)benzimidazole;7-chloro-2-methyl-1-propylbenzimidazole;1-cyclopropyl-2-methyl-6-(trifluoromethyl)benzimidazole;4,5-difluoro-2-methyl-1-propylbenzimidazole;6-fluoro-2-methyl-1H-benzimidazole;5-fluoro-2-methyl-1-propan-2-ylbenzimidazole;6-fluoro-2-methyl-1-propylbenzimidazole;2-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene.

Molecular Properties

Compound Name7-chloro-2-methyl-1-(2-methylpropyl)benzimidazole;7-chloro-2-methyl-1-propylbenzimidazole;1-cyclopropyl-2-methyl-6-(trifluoromethyl)benzimidazole;4,5-difluoro-2-methyl-1-propylbenzimidazole;6-fluoro-2-methyl-1H-benzimidazole;5-fluoro-2-methyl-1-propan-2-ylbenzimidazole;6-fluoro-2-methyl-1-propylbenzimidazole;2-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
PubChem CID158663104
Molecular FormulaC87H96Cl2F8N16
Molecular Weight1588.73 g/mol
Exact Mass1586.73
IUPAC Name7-chloro-2-methyl-1-(2-methylpropyl)benzimidazole;7-chloro-2-methyl-1-propylbenzimidazole;1-cyclopropyl-2-methyl-6-(trifluoromethyl)benzimidazole;4,5-difluoro-2-methyl-1-propylbenzimidazole;6-fluoro-2-methyl-1H-benzimidazole;5-fluoro-2-methyl-1-propan-2-ylbenzimidazole;6-fluoro-2-methyl-1-propylbenzimidazole;2-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
SMILESCCCn1c(C)nc2c(F)c(F)ccc21.CCCn1c(C)nc2ccc(F)cc21.CCCn1c(C)nc2cccc(Cl)c21.Cc1nc2cc(F)ccc2n1C(C)C.Cc1nc2ccc(C(F)(F)F)cc2n1C1CC1.Cc1nc2ccc(F)cc2[nH]1.Cc1nc2cccc(Cl)c2n1CC(C)C.Cc1nc2cccc3c2n1CCC3
InChIInChI=1S/C12H15ClN2.C12H11F3N2.C11H13ClN2.C11H12F2N2.2C11H13FN2.C11H12N2.C8H7FN2/c1-8(2)7-15-9(3)14-11-6-4-5-10(13)12(11)15;1-7-16-10-5-2-8(12(13,14)15)6-11(10)17(7)9-3-4-9;1-3-7-14-8(2)13-10-6-4-5-9(12)11(10)14;1-3-6-15-7(2)14-11-9(15)5-4-8(12)10(11)13;1-7(2)14-8(3)13-10-6-9(12)4-5-11(10)14;1-3-6-14-8(2)13-10-5-4-9(12)7-11(10)14;1-8-12-10-6-2-4-9-5-3-7-13(8)11(9)10;1-5-10-7-3-2-6(9)4-8(7)11-5/h4-6,8H,7H2,1-3H3;2,5-6,9H,3-4H2,1H3;4-6H,3,7H2,1-2H3;4-5H,3,6H2,1-2H3;4-7H,1-3H3;4-5,7H,3,6H2,1-2H3;2,4,6H,3,5,7H2,1H3;2-4H,1H3,(H,10,11)
InChIKeyICZSEUQKWPKDMJ-UHFFFAOYSA-N
XLogP24.05
TPSA153.42 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001588.73
LogP ≤ 524.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 7-chloro-2-methyl-1-(2-methylpropyl)benzimidazole;7-chloro-2-methyl-1-propylbenzimidazole;1-cyclopropyl-2-methyl-6-(trifluoromethyl)benzimidazole;4,5-difluoro-2-methyl-1-propylbenzimidazole;6-fluoro-2-methyl-1H-benzimidazole;5-fluoro-2-methyl-1-propan-2-ylbenzimidazole;6-fluoro-2-methyl-1-propylbenzimidazole;2-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene with MolForge

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Related Compounds

5,5'-[(2R,5R)-1-[3,5-Difluoro-4-[4-(4-fluorophenyl)-1-piperidinyl]phenyl]-2,5-pyrrolidinediyl]bis[6-fluoro-2-(2S)-2-pyrrolidinyl-1H-benzimidazole]
CID 66629958
6-[(2R,5R)-1-[4-[4-(3,5-difluorophenyl)piperidin-1-yl]-3,5-difluorophenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 66629300
6-[(2R,5R)-1-[3,5-difluoro-4-(4-phenylpiperidin-1-yl)phenyl]-5-[6-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-5-fluoro-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 66629544
6-[(2R,5R)-1-(3,5-difluoro-4-piperidin-1-ylphenyl)-5-[2-[(2S)-2,3-dihydro-1H-indol-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-2-[(2S)-2,3-dihydro-1H-indol-2-yl]-1H-benzimidazole
CID 66629969
6-[(2R,5R)-1-[3,5-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 66630015
6-[(2R,5R)-1-[4-(4-benzylpiperidin-1-yl)-3,5-difluorophenyl]-5-[6-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-5-fluoro-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 66630373
6-[(2R,5R)-1-[3,5-difluoro-4-[4-[fluoro(diphenyl)methyl]piperidin-1-yl]phenyl]-5-[6-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-5-fluoro-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 66630407
6-[(2R,5R)-1-[4-(4-benzylpiperidin-1-yl)-3,5-difluorophenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 66630548
6-[(2R,5R)-1-[4-[4-(3,4-difluorophenyl)piperidin-1-yl]-3,5-difluorophenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 66630629
6-[(2R,5R)-1-[3,5-difluoro-4-[4-(3-phenylpropyl)piperidin-1-yl]phenyl]-5-[6-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-5-fluoro-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 66630661
6-[(2S,5S)-1-[4-[4-(2,6-difluorophenyl)piperazin-1-yl]-3,5-difluorophenyl]-5-[6-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-5-fluoro-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 87082494
6-[(2R,5R)-1-[4-[4-(2,6-difluorophenyl)piperazin-1-yl]-3,5-difluorophenyl]-5-[6-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-5-fluoro-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 87082563

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-1-(2-methylpropyl)benzimidazole;7-chloro-2-methyl-1-propylbenzimidazole;1-cyclopropyl-2-methyl-6-(trifluoromethyl)benzimidazole;4,5-difluoro-2-methyl-1-propylbenzimidazole;6-fluoro-2-methyl-1H-benzimidazole;5-fluoro-2-methyl-1-propan-2-ylbenzimidazole;6-fluoro-2-methyl-1-propylbenzimidazole;2-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?
The IUPAC name of 7-chloro-2-methyl-1-(2-methylpropyl)benzimidazole;7-chloro-2-methyl-1-propylbenzimidazole;1-cyclopropyl-2-methyl-6-(trifluoromethyl)benzimidazole;4,5-difluoro-2-methyl-1-propylbenzimidazole;6-fluoro-2-methyl-1H-benzimidazole;5-fluoro-2-methyl-1-propan-2-ylbenzimidazole;6-fluoro-2-methyl-1-propylbenzimidazole;2-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene (CID 158663104) is 7-chloro-2-methyl-1-(2-methylpropyl)benzimidazole;7-chloro-2-methyl-1-propylbenzimidazole;1-cyclopropyl-2-methyl-6-(trifluoromethyl)benzimidazole;4,5-difluoro-2-methyl-1-propylbenzimidazole;6-fluoro-2-methyl-1H-benzimidazole;5-fluoro-2-methyl-1-propan-2-ylbenzimidazole;6-fluoro-2-methyl-1-propylbenzimidazole;2-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene.
What is the SMILES notation for 7-chloro-2-methyl-1-(2-methylpropyl)benzimidazole;7-chloro-2-methyl-1-propylbenzimidazole;1-cyclopropyl-2-methyl-6-(trifluoromethyl)benzimidazole;4,5-difluoro-2-methyl-1-propylbenzimidazole;6-fluoro-2-methyl-1H-benzimidazole;5-fluoro-2-methyl-1-propan-2-ylbenzimidazole;6-fluoro-2-methyl-1-propylbenzimidazole;2-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?
The canonical SMILES for 7-chloro-2-methyl-1-(2-methylpropyl)benzimidazole;7-chloro-2-methyl-1-propylbenzimidazole;1-cyclopropyl-2-methyl-6-(trifluoromethyl)benzimidazole;4,5-difluoro-2-methyl-1-propylbenzimidazole;6-fluoro-2-methyl-1H-benzimidazole;5-fluoro-2-methyl-1-propan-2-ylbenzimidazole;6-fluoro-2-methyl-1-propylbenzimidazole;2-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene is CCCn1c(C)nc2c(F)c(F)ccc21.CCCn1c(C)nc2ccc(F)cc21.CCCn1c(C)nc2cccc(Cl)c21.Cc1nc2cc(F)ccc2n1C(C)C.Cc1nc2ccc(C(F)(F)F)cc2n1C1CC1.Cc1nc2ccc(F)cc2[nH]1.Cc1nc2cccc(Cl)c2n1CC(C)C.Cc1nc2cccc3c2n1CCC3.
What is the InChIKey of 7-chloro-2-methyl-1-(2-methylpropyl)benzimidazole;7-chloro-2-methyl-1-propylbenzimidazole;1-cyclopropyl-2-methyl-6-(trifluoromethyl)benzimidazole;4,5-difluoro-2-methyl-1-propylbenzimidazole;6-fluoro-2-methyl-1H-benzimidazole;5-fluoro-2-methyl-1-propan-2-ylbenzimidazole;6-fluoro-2-methyl-1-propylbenzimidazole;2-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?
The InChIKey is ICZSEUQKWPKDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2.C12H11F3N2.C11H13ClN2.C11H12F2N2.2C11H13FN2.C11H12N2.C8H7FN2/c1-8(2)7-15-9(3)14-11-6-4-5-10(13)12(11)15;1-7-16-10-5-2-8(12(13,14)15)6-11(10)17(7)9-3-4-9;1-3-7-14-8(2)13-10-6-4-5-9(12)11(10)14;1-3-6-15-7(2)14-11-9(15)5-4-8(12)10(11)13;1-7(2)14-8(3)13-10-6-9(12)4-5-11(10)14;1-3-6-14-8(2)13-10-5-4-9(12)7-11(10)14;1-8-12-10-6-2-4-9-5-3-7-13(8)11(9)10;1-5-10-7-3-2-6(9)4-8(7)11-5/h4-6,8H,7H2,1-3H3;2,5-6,9H,3-4H2,1H3;4-6H,3,7H2,1-2H3;4-5H,3,6H2,1-2H3;4-7H,1-3H3;4-5,7H,3,6H2,1-2H3;2,4,6H,3,5,7H2,1H3;2-4H,1H3,(H,10,11).
What are the key properties of 7-chloro-2-methyl-1-(2-methylpropyl)benzimidazole;7-chloro-2-methyl-1-propylbenzimidazole;1-cyclopropyl-2-methyl-6-(trifluoromethyl)benzimidazole;4,5-difluoro-2-methyl-1-propylbenzimidazole;6-fluoro-2-methyl-1H-benzimidazole;5-fluoro-2-methyl-1-propan-2-ylbenzimidazole;6-fluoro-2-methyl-1-propylbenzimidazole;2-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?
7-chloro-2-methyl-1-(2-methylpropyl)benzimidazole;7-chloro-2-methyl-1-propylbenzimidazole;1-cyclopropyl-2-methyl-6-(trifluoromethyl)benzimidazole;4,5-difluoro-2-methyl-1-propylbenzimidazole;6-fluoro-2-methyl-1H-benzimidazole;5-fluoro-2-methyl-1-propan-2-ylbenzimidazole;6-fluoro-2-methyl-1-propylbenzimidazole;2-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene has a molecular weight of 1588.73 g/mol, XLogP of 24.05, 10 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-1-(2-methylpropyl)benzimidazole;7-chloro-2-methyl-1-propylbenzimidazole;1-cyclopropyl-2-methyl-6-(trifluoromethyl)benzimidazole;4,5-difluoro-2-methyl-1-propylbenzimidazole;6-fluoro-2-methyl-1H-benzimidazole;5-fluoro-2-methyl-1-propan-2-ylbenzimidazole;6-fluoro-2-methyl-1-propylbenzimidazole;2-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene is sourced from PubChem (CID 158663104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).