2-chloro-N-[(1S)-1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropyl]benzamide

C20H22ClN3O — CID 1476306

IUPAC2-chloro-N-[(1S)-1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropyl]benzamide
SMILESCc1cc2nc([C@@H](NC(=O)c3ccccc3Cl)C(C)C)[nH]c2cc1C
InChIInChI=1S/C20H22ClN3O/c1-11(2)18(24-20(25)14-7-5-6-8-15(14)21)19-22-16-9-12(3)13(4)10-17(16)23-19/h5-11,18H,1-4H3,(H,22,23)(H,24,25)/t18-/m0/s1
InChIKeyUFIBLMCUMSRDFA-SFHVURJKSA-N
MW355.87 g/mol
LogP4.96
Rot. Bonds4

About 2-chloro-N-[(1S)-1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropyl]benzamide

2-chloro-N-[(1S)-1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropyl]benzamide (PubChem CID 1476306) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 2-chloro-N-[(1S)-1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1S)-1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropyl]benzamide
PubChem CID1476306
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name2-chloro-N-[(1S)-1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropyl]benzamide
SMILESCc1cc2nc([C@@H](NC(=O)c3ccccc3Cl)C(C)C)[nH]c2cc1C
InChIInChI=1S/C20H22ClN3O/c1-11(2)18(24-20(25)14-7-5-6-8-15(14)21)19-22-16-9-12(3)13(4)10-17(16)23-19/h5-11,18H,1-4H3,(H,22,23)(H,24,25)/t18-/m0/s1
InChIKeyUFIBLMCUMSRDFA-SFHVURJKSA-N
XLogP4.96
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,4-dichloro-5-fluorobenzamide
CID 134059923
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-chloro-2-methoxybenzamide
CID 95248304
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide
CID 4779807
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-bromobenzamide
CID 8927969
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide
CID 3701693
5-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride
CID 120643289
2-chloro-N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]benzamide
CID 43890007
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976349
5,6-dimethyl-N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide
CID 131935989
N-[1-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide
CID 55812418
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2,3-dichlorobenzamide
CID 55862922
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-chloro-4-fluorobenzamide
CID 55812514

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S)-1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropyl]benzamide?
The IUPAC name of 2-chloro-N-[(1S)-1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropyl]benzamide (CID 1476306) is 2-chloro-N-[(1S)-1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(1S)-1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropyl]benzamide?
The canonical SMILES for 2-chloro-N-[(1S)-1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropyl]benzamide is Cc1cc2nc([C@@H](NC(=O)c3ccccc3Cl)C(C)C)[nH]c2cc1C.
What is the InChIKey of 2-chloro-N-[(1S)-1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropyl]benzamide?
The InChIKey is UFIBLMCUMSRDFA-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22ClN3O/c1-11(2)18(24-20(25)14-7-5-6-8-15(14)21)19-22-16-9-12(3)13(4)10-17(16)23-19/h5-11,18H,1-4H3,(H,22,23)(H,24,25)/t18-/m0/s1.
What are the key properties of 2-chloro-N-[(1S)-1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropyl]benzamide?
2-chloro-N-[(1S)-1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropyl]benzamide has a molecular weight of 355.87 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S)-1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropyl]benzamide is sourced from PubChem (CID 1476306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).