N-[1-(1H-benzimidazol-2-yl)ethyl]-4-imidazol-1-ylbenzamide

C19H17N5O — CID 134032924

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-4-imidazol-1-ylbenzamide
SMILESCC(NC(=O)c1ccc(-n2ccnc2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H17N5O/c1-13(18-22-16-4-2-3-5-17(16)23-18)21-19(25)14-6-8-15(9-7-14)24-11-10-20-12-24/h2-13H,1H3,(H,21,25)(H,22,23)
InChIKeyOFJGRNNSCJRCRY-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.24
Rot. Bonds4

About N-[1-(1H-benzimidazol-2-yl)ethyl]-4-imidazol-1-ylbenzamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-4-imidazol-1-ylbenzamide (PubChem CID 134032924) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-4-imidazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-4-imidazol-1-ylbenzamide
PubChem CID134032924
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-4-imidazol-1-ylbenzamide
SMILESCC(NC(=O)c1ccc(-n2ccnc2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H17N5O/c1-13(18-22-16-4-2-3-5-17(16)23-18)21-19(25)14-6-8-15(9-7-14)24-11-10-20-12-24/h2-13H,1H3,(H,21,25)(H,22,23)
InChIKeyOFJGRNNSCJRCRY-UHFFFAOYSA-N
XLogP3.24
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 78806694
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 30157421
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 77082172
4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 82546053
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methylsulfinylbenzamide
CID 78806018
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide
CID 74232246
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 95233258
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-iodobenzamide
CID 43003596
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 95872440
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-tert-butylpyrazole-4-carboxamide
CID 60509484
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 2156760

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-imidazol-1-ylbenzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-imidazol-1-ylbenzamide (CID 134032924) is N-[1-(1H-benzimidazol-2-yl)ethyl]-4-imidazol-1-ylbenzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-imidazol-1-ylbenzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-imidazol-1-ylbenzamide is CC(NC(=O)c1ccc(-n2ccnc2)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-imidazol-1-ylbenzamide?
The InChIKey is OFJGRNNSCJRCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-13(18-22-16-4-2-3-5-17(16)23-18)21-19(25)14-6-8-15(9-7-14)24-11-10-20-12-24/h2-13H,1H3,(H,21,25)(H,22,23).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-imidazol-1-ylbenzamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-imidazol-1-ylbenzamide has a molecular weight of 331.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-imidazol-1-ylbenzamide is sourced from PubChem (CID 134032924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).