2-bromo-1-[(5S)-5-methyl-4,5-di(propan-2-yl)cyclopenten-1-yl]benzimidazole

C19H25BrN2 — CID 59842313

IUPAC2-bromo-1-[(5S)-5-methyl-4,5-di(propan-2-yl)cyclopenten-1-yl]benzimidazole
SMILESCC(C)C1CC=C(n2c(Br)nc3ccccc32)[C@@]1(C)C(C)C
InChIInChI=1S/C19H25BrN2/c1-12(2)14-10-11-17(19(14,5)13(3)4)22-16-9-7-6-8-15(16)21-18(22)20/h6-9,11-14H,10H2,1-5H3/t14?,19-/m0/s1
InChIKeySEFBJSZEMIWVCZ-PKDNWHCCSA-N
MW361.33 g/mol
LogP5.98
Rot. Bonds3

About 2-bromo-1-[(5S)-5-methyl-4,5-di(propan-2-yl)cyclopenten-1-yl]benzimidazole

2-bromo-1-[(5S)-5-methyl-4,5-di(propan-2-yl)cyclopenten-1-yl]benzimidazole (PubChem CID 59842313) has the molecular formula C19H25BrN2 and a molecular weight of 361.33 g/mol. Its IUPAC name is 2-bromo-1-[(5S)-5-methyl-4,5-di(propan-2-yl)cyclopenten-1-yl]benzimidazole.

Molecular Properties

Compound Name2-bromo-1-[(5S)-5-methyl-4,5-di(propan-2-yl)cyclopenten-1-yl]benzimidazole
PubChem CID59842313
Molecular FormulaC19H25BrN2
Molecular Weight361.33 g/mol
Exact Mass360.12
IUPAC Name2-bromo-1-[(5S)-5-methyl-4,5-di(propan-2-yl)cyclopenten-1-yl]benzimidazole
SMILESCC(C)C1CC=C(n2c(Br)nc3ccccc32)[C@@]1(C)C(C)C
InChIInChI=1S/C19H25BrN2/c1-12(2)14-10-11-17(19(14,5)13(3)4)22-16-9-7-6-8-15(16)21-18(22)20/h6-9,11-14H,10H2,1-5H3/t14?,19-/m0/s1
InChIKeySEFBJSZEMIWVCZ-PKDNWHCCSA-N
XLogP5.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.33
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-5-methyl-3-[(5S)-5-methyl-4,5-di(propan-2-yl)cyclopenten-1-yl]-1H-benzimidazole-2-thione;6-chloro-5-fluoro-3-[(5S)-5-methyl-4,5-di(propan-2-yl)cyclopenten-1-yl]-1H-benzimidazole-2-thione;7-chloro-5-methyl-3-[(5S)-5-methyl-4,5-di(propan-2-yl)cyclopenten-1-yl]-1H-benzimidazole-2-thione;1-[(5S)-5-methyl-4,5-di(propan-2-yl)cyclopenten-1-yl]benzimidazol-2-amine;1-[(5S)-5-methyl-4,5-di(propan-2-yl)cyclopenten-1-yl]benzimidazole-2-carbonitrile
CID 158384417
2-bromo-1-phenylbenzimidazole
CID 84810012
2-chloro-1-[(5S)-4,5-dimethyl-5-pentan-2-ylcyclopenten-1-yl]benzimidazole
CID 70918322
1-phenyl-2-propan-2-ylbenzimidazole
CID 21050246
1-methyl-3H-pyrrolo[1,2-a]benzimidazole
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2-propan-2-yl-1-(2-propan-2-ylphenyl)benzimidazole
CID 155173883
(3S)-3-propan-2-yl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 138979401
1-propan-2-yl-2-pyrrolidin-1-ylbenzimidazole
CID 10105231
1-(2-bromophenyl)-2-methylbenzimidazole
CID 168938830
3-propan-2-yl-1,2-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-one
CID 135797532
1-(3-bromo-2-pyridinyl)-2-methylbenzimidazole
CID 79753555
2-(1-chloroethyl)-1-(2-propan-2-ylphenyl)benzimidazole
CID 43667330

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[(5S)-5-methyl-4,5-di(propan-2-yl)cyclopenten-1-yl]benzimidazole?
The IUPAC name of 2-bromo-1-[(5S)-5-methyl-4,5-di(propan-2-yl)cyclopenten-1-yl]benzimidazole (CID 59842313) is 2-bromo-1-[(5S)-5-methyl-4,5-di(propan-2-yl)cyclopenten-1-yl]benzimidazole.
What is the SMILES notation for 2-bromo-1-[(5S)-5-methyl-4,5-di(propan-2-yl)cyclopenten-1-yl]benzimidazole?
The canonical SMILES for 2-bromo-1-[(5S)-5-methyl-4,5-di(propan-2-yl)cyclopenten-1-yl]benzimidazole is CC(C)C1CC=C(n2c(Br)nc3ccccc32)[C@@]1(C)C(C)C.
What is the InChIKey of 2-bromo-1-[(5S)-5-methyl-4,5-di(propan-2-yl)cyclopenten-1-yl]benzimidazole?
The InChIKey is SEFBJSZEMIWVCZ-PKDNWHCCSA-N. The full InChI is InChI=1S/C19H25BrN2/c1-12(2)14-10-11-17(19(14,5)13(3)4)22-16-9-7-6-8-15(16)21-18(22)20/h6-9,11-14H,10H2,1-5H3/t14?,19-/m0/s1.
What are the key properties of 2-bromo-1-[(5S)-5-methyl-4,5-di(propan-2-yl)cyclopenten-1-yl]benzimidazole?
2-bromo-1-[(5S)-5-methyl-4,5-di(propan-2-yl)cyclopenten-1-yl]benzimidazole has a molecular weight of 361.33 g/mol, XLogP of 5.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[(5S)-5-methyl-4,5-di(propan-2-yl)cyclopenten-1-yl]benzimidazole is sourced from PubChem (CID 59842313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).