N-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-2-carboxamide

C17H17N3O2 — CID 584328

IUPACN-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H17N3O2/c1-22-13-8-6-12(7-9-13)10-11-18-17(21)16-19-14-4-2-3-5-15(14)20-16/h2-9H,10-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyPRGLTRNWFLBCOH-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.54
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-2-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-2-carboxamide (PubChem CID 584328) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-2-carboxamide
PubChem CID584328
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H17N3O2/c1-22-13-8-6-12(7-9-13)10-11-18-17(21)16-19-14-4-2-3-5-15(14)20-16/h2-9H,10-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyPRGLTRNWFLBCOH-UHFFFAOYSA-N
XLogP2.54
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135638515
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide
CID 110702529
1-[1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 121471284
1-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 121471282
N-[2-(4-methoxyphenyl)ethyl]quinoline-2-carboxamide
CID 2093012
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 19167078
(2R)-2-(1H-benzimidazol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 129366444
N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 2516124
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(4-methoxyphenyl)methylamino]-1,3-thiazole-4-carboxamide
CID 71829135
N-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide
CID 91901972
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692315
N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-2-carboxamide (CID 584328) is N-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-2-carboxamide is COc1ccc(CCNC(=O)c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-2-carboxamide?
The InChIKey is PRGLTRNWFLBCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-22-13-8-6-12(7-9-13)10-11-18-17(21)16-19-14-4-2-3-5-15(14)20-16/h2-9H,10-11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-2-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-2-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 584328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).