N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide

C18H16N6O — CID 77082172

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide
SMILESCC(NC(=O)c1cccc(-n2cnnc2)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H16N6O/c1-12(17-22-15-7-2-3-8-16(15)23-17)21-18(25)13-5-4-6-14(9-13)24-10-19-20-11-24/h2-12H,1H3,(H,21,25)(H,22,23)
InChIKeyQRIVVTXHWKNUDH-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.63
Rot. Bonds4

About N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide (PubChem CID 77082172) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide
PubChem CID77082172
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide
SMILESCC(NC(=O)c1cccc(-n2cnnc2)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H16N6O/c1-12(17-22-15-7-2-3-8-16(15)23-17)21-18(25)13-5-4-6-14(9-13)24-10-19-20-11-24/h2-12H,1H3,(H,21,25)(H,22,23)
InChIKeyQRIVVTXHWKNUDH-UHFFFAOYSA-N
XLogP2.63
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-fluorobenzamide
CID 18116392
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 18116381
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(propanoylamino)benzamide
CID 60509786
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(tetrazol-1-yl)benzamide
CID 27448142
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 60620449
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-imidazol-1-ylbenzamide
CID 134032924
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 30157421
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 78806694
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 2156760
4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 82546053
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-phenylmethoxybenzamide
CID 60592481

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide (CID 77082172) is N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide is CC(NC(=O)c1cccc(-n2cnnc2)c1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is QRIVVTXHWKNUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-12(17-22-15-7-2-3-8-16(15)23-17)21-18(25)13-5-4-6-14(9-13)24-10-19-20-11-24/h2-12H,1H3,(H,21,25)(H,22,23).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 332.37 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 77082172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).