N-(1H-benzimidazol-2-yl)-3-(3-methylphenyl)propanamide

C17H17N3O — CID 60700198

IUPACN-(1H-benzimidazol-2-yl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)Nc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C17H17N3O/c1-12-5-4-6-13(11-12)9-10-16(21)20-17-18-14-7-2-3-8-15(14)19-17/h2-8,11H,9-10H2,1H3,(H2,18,19,20,21)
InChIKeyASBDXZMUIQLBJX-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.44
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-3-(3-methylphenyl)propanamide

N-(1H-benzimidazol-2-yl)-3-(3-methylphenyl)propanamide (PubChem CID 60700198) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-(3-methylphenyl)propanamide
PubChem CID60700198
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(1H-benzimidazol-2-yl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)Nc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C17H17N3O/c1-12-5-4-6-13(11-12)9-10-16(21)20-17-18-14-7-2-3-8-15(14)19-17/h2-8,11H,9-10H2,1H3,(H2,18,19,20,21)
InChIKeyASBDXZMUIQLBJX-UHFFFAOYSA-N
XLogP3.44
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-benzimidazol-2-yl)-2-(3-methylphenyl)acetamide
CID 62873665
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CID 2472289
N-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-2-amine
CID 62313746
N-(1H-benzimidazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 78799758
(E)-N-(1H-benzimidazol-2-yl)-3-(3-methylphenyl)prop-2-enamide
CID 31494043
N-(1H-benzimidazol-2-yl)undecanamide
CID 5093764
N-(1H-benzimidazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 51309089
N-(1H-benzimidazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 27649678
2-acetamido-N-(1H-benzimidazol-2-yl)acetamide
CID 60652558
N-(1H-benzimidazol-2-yl)-3-ethoxypropanamide
CID 63184543
N-(1H-benzimidazol-2-yl)-3-(2-ethoxyphenyl)propanamide
CID 35808218
N-(1H-benzimidazol-2-yl)pent-4-enamide
CID 62867234

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-(3-methylphenyl)propanamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-(3-methylphenyl)propanamide (CID 60700198) is N-(1H-benzimidazol-2-yl)-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)Nc2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-(3-methylphenyl)propanamide?
The InChIKey is ASBDXZMUIQLBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-5-4-6-13(11-12)9-10-16(21)20-17-18-14-7-2-3-8-15(14)19-17/h2-8,11H,9-10H2,1H3,(H2,18,19,20,21).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-(3-methylphenyl)propanamide?
N-(1H-benzimidazol-2-yl)-3-(3-methylphenyl)propanamide has a molecular weight of 279.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 60700198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).