(2R)-2-(2-benzyl-5,6-dimethylbenzimidazol-1-yl)-N-(2-methylpropyl)butanamide

C24H31N3O — CID 93301671

IUPAC(2R)-2-(2-benzyl-5,6-dimethylbenzimidazol-1-yl)-N-(2-methylpropyl)butanamide
SMILESCC[C@H](C(=O)NCC(C)C)n1c(Cc2ccccc2)nc2cc(C)c(C)cc21
InChIInChI=1S/C24H31N3O/c1-6-21(24(28)25-15-16(2)3)27-22-13-18(5)17(4)12-20(22)26-23(27)14-19-10-8-7-9-11-19/h7-13,16,21H,6,14-15H2,1-5H3,(H,25,28)/t21-/m1/s1
InChIKeyJKAORIMTNAYZBK-OAQYLSRUSA-N
MW377.53 g/mol
LogP4.97
Rot. Bonds7

About (2R)-2-(2-benzyl-5,6-dimethylbenzimidazol-1-yl)-N-(2-methylpropyl)butanamide

(2R)-2-(2-benzyl-5,6-dimethylbenzimidazol-1-yl)-N-(2-methylpropyl)butanamide (PubChem CID 93301671) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is (2R)-2-(2-benzyl-5,6-dimethylbenzimidazol-1-yl)-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name(2R)-2-(2-benzyl-5,6-dimethylbenzimidazol-1-yl)-N-(2-methylpropyl)butanamide
PubChem CID93301671
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name(2R)-2-(2-benzyl-5,6-dimethylbenzimidazol-1-yl)-N-(2-methylpropyl)butanamide
SMILESCC[C@H](C(=O)NCC(C)C)n1c(Cc2ccccc2)nc2cc(C)c(C)cc21
InChIInChI=1S/C24H31N3O/c1-6-21(24(28)25-15-16(2)3)27-22-13-18(5)17(4)12-20(22)26-23(27)14-19-10-8-7-9-11-19/h7-13,16,21H,6,14-15H2,1-5H3,(H,25,28)/t21-/m1/s1
InChIKeyJKAORIMTNAYZBK-OAQYLSRUSA-N
XLogP4.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(2-methylpropyl)butanamide
CID 93301621
(2S)-2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)butanamide
CID 97037004
(2S)-2-[2-[(2-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(furan-2-ylmethyl)butanamide
CID 93301530
(2R)-2-(2-benzyl-5,6-dimethylbenzimidazol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 93301649
(2R)-N-(4-fluorophenyl)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-2-phenylacetamide
CID 93301332
(2S)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 93301129
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]pentanamide
CID 93301269
2-[(2-benzyl-1-pentan-3-ylbenzimidazole-5-carbonyl)amino]-4-methylpentanoic acid
CID 118427561
2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 42810644
2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide
CID 83281530
3-[(2-benzyl-1-butan-2-ylbenzimidazole-5-carbonyl)iminomethyl]-5-methylhexanoic acid
CID 123896813
1-(4-acetylpiperazin-1-yl)-2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]propan-1-one
CID 42810646

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-benzyl-5,6-dimethylbenzimidazol-1-yl)-N-(2-methylpropyl)butanamide?
The IUPAC name of (2R)-2-(2-benzyl-5,6-dimethylbenzimidazol-1-yl)-N-(2-methylpropyl)butanamide (CID 93301671) is (2R)-2-(2-benzyl-5,6-dimethylbenzimidazol-1-yl)-N-(2-methylpropyl)butanamide.
What is the SMILES notation for (2R)-2-(2-benzyl-5,6-dimethylbenzimidazol-1-yl)-N-(2-methylpropyl)butanamide?
The canonical SMILES for (2R)-2-(2-benzyl-5,6-dimethylbenzimidazol-1-yl)-N-(2-methylpropyl)butanamide is CC[C@H](C(=O)NCC(C)C)n1c(Cc2ccccc2)nc2cc(C)c(C)cc21.
What is the InChIKey of (2R)-2-(2-benzyl-5,6-dimethylbenzimidazol-1-yl)-N-(2-methylpropyl)butanamide?
The InChIKey is JKAORIMTNAYZBK-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H31N3O/c1-6-21(24(28)25-15-16(2)3)27-22-13-18(5)17(4)12-20(22)26-23(27)14-19-10-8-7-9-11-19/h7-13,16,21H,6,14-15H2,1-5H3,(H,25,28)/t21-/m1/s1.
What are the key properties of (2R)-2-(2-benzyl-5,6-dimethylbenzimidazol-1-yl)-N-(2-methylpropyl)butanamide?
(2R)-2-(2-benzyl-5,6-dimethylbenzimidazol-1-yl)-N-(2-methylpropyl)butanamide has a molecular weight of 377.53 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-benzyl-5,6-dimethylbenzimidazol-1-yl)-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 93301671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).