N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylimidazole-4-carboxamide

C19H17N5O — CID 17401011

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylimidazole-4-carboxamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)c1cncn1-c1ccccc1
InChIInChI=1S/C19H17N5O/c25-19(17-12-20-13-24(17)14-6-2-1-3-7-14)21-11-10-18-22-15-8-4-5-9-16(15)23-18/h1-9,12-13H,10-11H2,(H,21,25)(H,22,23)
InChIKeyHOCNKOWGYWKWPW-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.72
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylimidazole-4-carboxamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylimidazole-4-carboxamide (PubChem CID 17401011) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylimidazole-4-carboxamide
PubChem CID17401011
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylimidazole-4-carboxamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)c1cncn1-c1ccccc1
InChIInChI=1S/C19H17N5O/c25-19(17-12-20-13-24(17)14-6-2-1-3-7-14)21-11-10-18-22-15-8-4-5-9-16(15)23-18/h1-9,12-13H,10-11H2,(H,21,25)(H,22,23)
InChIKeyHOCNKOWGYWKWPW-UHFFFAOYSA-N
XLogP2.72
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 52693788
N-(4-hydroxybutyl)-3-phenylimidazole-4-carboxamide
CID 106843413
N-ethyl-3-phenylimidazole-4-carboxamide
CID 47109591
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 110462612
N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide
CID 32757779
N-[2-(cyclohexen-1-yl)ethyl]-3-phenylimidazole-4-carboxamide
CID 9118961
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 5297042
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 30209277
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 21008897
N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 30209564
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridine-4-carboxamide
CID 103607169

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylimidazole-4-carboxamide (CID 17401011) is N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylimidazole-4-carboxamide is O=C(NCCc1nc2ccccc2[nH]1)c1cncn1-c1ccccc1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylimidazole-4-carboxamide?
The InChIKey is HOCNKOWGYWKWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c25-19(17-12-20-13-24(17)14-6-2-1-3-7-14)21-11-10-18-22-15-8-4-5-9-16(15)23-18/h1-9,12-13H,10-11H2,(H,21,25)(H,22,23).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylimidazole-4-carboxamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylimidazole-4-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 17401011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).