N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide

C17H17N3O — CID 763445

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C17H17N3O/c1-11(2)17(21)18-13-7-5-6-12(10-13)16-19-14-8-3-4-9-15(14)20-16/h3-11H,1-2H3,(H,18,21)(H,19,20)
InChIKeyZHCMCWLMULDAHU-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.82
Rot. Bonds3

About N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide

N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide (PubChem CID 763445) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide
PubChem CID763445
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C17H17N3O/c1-11(2)17(21)18-13-7-5-6-12(10-13)16-19-14-8-3-4-9-15(14)20-16/h3-11H,1-2H3,(H,18,21)(H,19,20)
InChIKeyZHCMCWLMULDAHU-UHFFFAOYSA-N
XLogP3.82
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide
CID 969400
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-methylpropanamide;hydrochloride
CID 146052786
N-[3-(1H-benzimidazol-2-yl)phenyl]-2,6-difluorobenzamide
CID 3706187
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
CID 2810335
3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide
CID 44523579
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(4-methylsulfanylphenyl)acetamide
CID 18586804
dimethyl (E)-2-[3-(1H-benzimidazol-2-yl)anilino]but-2-enedioate
CID 168568180
[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl] acetate
CID 5058448
N-[3-(1H-benzimidazol-2-yl)phenyl]-2,4,5-trimethoxybenzamide
CID 51109807
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993117
N-[3-(1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119832390
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 1271219

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide (CID 763445) is N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide?
The InChIKey is ZHCMCWLMULDAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11(2)17(21)18-13-7-5-6-12(10-13)16-19-14-8-3-4-9-15(14)20-16/h3-11H,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide has a molecular weight of 279.34 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 763445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).