N-(2-acetamidoethyl)-2-phenyl-3H-benzimidazole-5-carboxamide

C18H18N4O2 — CID 110766096

IUPACN-(2-acetamidoethyl)-2-phenyl-3H-benzimidazole-5-carboxamide
SMILESCC(=O)NCCNC(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C18H18N4O2/c1-12(23)19-9-10-20-18(24)14-7-8-15-16(11-14)22-17(21-15)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyQTSPKLURNRTOCP-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.10
Rot. Bonds5

About N-(2-acetamidoethyl)-2-phenyl-3H-benzimidazole-5-carboxamide

N-(2-acetamidoethyl)-2-phenyl-3H-benzimidazole-5-carboxamide (PubChem CID 110766096) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-phenyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-phenyl-3H-benzimidazole-5-carboxamide
PubChem CID110766096
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-(2-acetamidoethyl)-2-phenyl-3H-benzimidazole-5-carboxamide
SMILESCC(=O)NCCNC(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C18H18N4O2/c1-12(23)19-9-10-20-18(24)14-7-8-15-16(11-14)22-17(21-15)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyQTSPKLURNRTOCP-UHFFFAOYSA-N
XLogP2.10
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-3H-benzimidazole-5-carbohydrazide
CID 17010632
N-[3-(dimethylamino)propyl]-2-(2-phenyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide
CID 14903288
2-phenyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110766091
bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837
N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-2-[4-[6-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethylcarbamoyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazole-5-carboxamide
CID 138649285
N-benzyl-2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 71717004
N-hydroxy-2-(3-phenylphenyl)-3H-benzimidazole-5-carboxamide
CID 122690127
4-(1H-benzimidazol-2-yl)-N-butylbenzamide
CID 100577263
4-(1H-benzimidazol-2-yl)-N-(2-phenylethyl)benzamide
CID 100577407
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895
2-(2-acetamidoethylamino)-3H-benzimidazole-5-carboxylic acid
CID 82563089
N-(2-acetamidoethyl)-4-[2-[(1S)-1-hydroxyethyl]-3H-benzimidazol-5-yl]benzamide
CID 125445964

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-phenyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-2-phenyl-3H-benzimidazole-5-carboxamide (CID 110766096) is N-(2-acetamidoethyl)-2-phenyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-phenyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-phenyl-3H-benzimidazole-5-carboxamide is CC(=O)NCCNC(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of N-(2-acetamidoethyl)-2-phenyl-3H-benzimidazole-5-carboxamide?
The InChIKey is QTSPKLURNRTOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12(23)19-9-10-20-18(24)14-7-8-15-16(11-14)22-17(21-15)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,23)(H,20,24)(H,21,22).
What are the key properties of N-(2-acetamidoethyl)-2-phenyl-3H-benzimidazole-5-carboxamide?
N-(2-acetamidoethyl)-2-phenyl-3H-benzimidazole-5-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-phenyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110766096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).