N-[2-(3-methoxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide

C17H17N3O2 — CID 110700851

IUPACN-[2-(3-methoxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cccc3[nH]cnc23)c1
InChIInChI=1S/C17H17N3O2/c1-22-13-5-2-4-12(10-13)8-9-18-17(21)14-6-3-7-15-16(14)20-11-19-15/h2-7,10-11H,8-9H2,1H3,(H,18,21)(H,19,20)
InChIKeyXFNASXQBXREKPW-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.54
Rot. Bonds5

About N-[2-(3-methoxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide

N-[2-(3-methoxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide (PubChem CID 110700851) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide
PubChem CID110700851
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cccc3[nH]cnc23)c1
InChIInChI=1S/C17H17N3O2/c1-22-13-5-2-4-12(10-13)8-9-18-17(21)14-6-3-7-15-16(14)20-11-19-15/h2-7,10-11H,8-9H2,1H3,(H,18,21)(H,19,20)
InChIKeyXFNASXQBXREKPW-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-(3-methoxyphenyl)ethyl]-2-(methylamino)pyridine-3-carboxamide
CID 107856315
N-(3-methylbutyl)-1H-benzimidazole-4-carboxamide
CID 110700889
2-amino-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 107856311
N-[2-(3-methoxyphenyl)ethyl]-2-methyl-5-sulfanylbenzamide
CID 107854785
2,5-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 110761695
5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 110761198
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
2-amino-4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 107843328
5-methoxy-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207269
N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide
CID 110681429
3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109052520
3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 107980616

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide (CID 110700851) is N-[2-(3-methoxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide is COc1cccc(CCNC(=O)c2cccc3[nH]cnc23)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is XFNASXQBXREKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-22-13-5-2-4-12(10-13)8-9-18-17(21)14-6-3-7-15-16(14)20-11-19-15/h2-7,10-11H,8-9H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide?
N-[2-(3-methoxyphenyl)ethyl]-1H-benzimidazole-4-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-(3-methoxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 110700851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).