N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3-phenylpropanamide

C23H21N3O — CID 17297236

IUPACN-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3-phenylpropanamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)CCc4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C23H21N3O/c1-16-7-13-20-21(15-16)26-23(25-20)18-9-11-19(12-10-18)24-22(27)14-8-17-5-3-2-4-6-17/h2-7,9-13,15H,8,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyWWUAIIGXFQPFMA-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.11
Rot. Bonds5

About N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3-phenylpropanamide

N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3-phenylpropanamide (PubChem CID 17297236) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3-phenylpropanamide
PubChem CID17297236
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC NameN-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3-phenylpropanamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)CCc4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C23H21N3O/c1-16-7-13-20-21(15-16)26-23(25-20)18-9-11-19(12-10-18)24-22(27)14-8-17-5-3-2-4-6-17/h2-7,9-13,15H,8,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyWWUAIIGXFQPFMA-UHFFFAOYSA-N
XLogP5.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-4-oxopentanamide
CID 90145481
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-pyridin-3-ylacetamide
CID 146021518
2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide
CID 3106744
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]-2-phenylacetamide
CID 46290758
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide
CID 146021610
2-(2,5-dimethylphenoxy)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide
CID 5108771
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 2091179
N-benzyl-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100579292
4-[(2-phenylacetyl)amino]-N-[4-[6-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 2832124
4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid
CID 767937
3-chloro-N-[4-[6-[2-[4-(3-chloropropanoylamino)phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]propanamide
CID 11628600

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3-phenylpropanamide (CID 17297236) is N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3-phenylpropanamide is Cc1ccc2nc(-c3ccc(NC(=O)CCc4ccccc4)cc3)[nH]c2c1.
What is the InChIKey of N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3-phenylpropanamide?
The InChIKey is WWUAIIGXFQPFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-16-7-13-20-21(15-16)26-23(25-20)18-9-11-19(12-10-18)24-22(27)14-8-17-5-3-2-4-6-17/h2-7,9-13,15H,8,14H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3-phenylpropanamide?
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3-phenylpropanamide has a molecular weight of 355.44 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 17297236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).