N-[1-ethyl-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]butanamide

C17H21N5O — CID 46263440

IUPACN-[1-ethyl-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)nc(Cn1cccn1)n2CC
InChIInChI=1S/C17H21N5O/c1-3-6-17(23)19-13-7-8-15-14(11-13)20-16(22(15)4-2)12-21-10-5-9-18-21/h5,7-11H,3-4,6,12H2,1-2H3,(H,19,23)
InChIKeyMLNTZIGUMNNHNR-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.04
Rot. Bonds6

About N-[1-ethyl-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]butanamide

N-[1-ethyl-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]butanamide (PubChem CID 46263440) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[1-ethyl-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]butanamide.

Molecular Properties

Compound NameN-[1-ethyl-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]butanamide
PubChem CID46263440
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-[1-ethyl-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)nc(Cn1cccn1)n2CC
InChIInChI=1S/C17H21N5O/c1-3-6-17(23)19-13-7-8-15-14(11-13)20-16(22(15)4-2)12-21-10-5-9-18-21/h5,7-11H,3-4,6,12H2,1-2H3,(H,19,23)
InChIKeyMLNTZIGUMNNHNR-UHFFFAOYSA-N
XLogP3.04
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethyl-2-methylbenzimidazol-5-yl)-2-pyrazol-1-ylacetamide
CID 46981380
N-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-3-methylbutanamide
CID 35176961
N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]pentanamide
CID 17236147
N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]pentanamide
CID 23612860
N-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-4-methylbenzamide
CID 35176965
N-(1,2-dimethylbenzimidazol-5-yl)butanamide
CID 965373
N-[2-amino-1-(3-amino-3-oxopropyl)benzimidazol-5-yl]butanamide
CID 123952258
N-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-3-nitrobenzamide
CID 35176976
N-(2,3-dimethylquinoxalin-6-yl)-3-pyrazol-1-ylpropanamide
CID 92596027
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]acetamide
CID 17235989
3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 46976290
N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]propanamide
CID 23611201

Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]butanamide?
The IUPAC name of N-[1-ethyl-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]butanamide (CID 46263440) is N-[1-ethyl-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]butanamide.
What is the SMILES notation for N-[1-ethyl-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]butanamide?
The canonical SMILES for N-[1-ethyl-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]butanamide is CCCC(=O)Nc1ccc2c(c1)nc(Cn1cccn1)n2CC.
What is the InChIKey of N-[1-ethyl-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]butanamide?
The InChIKey is MLNTZIGUMNNHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-3-6-17(23)19-13-7-8-15-14(11-13)20-16(22(15)4-2)12-21-10-5-9-18-21/h5,7-11H,3-4,6,12H2,1-2H3,(H,19,23).
What are the key properties of N-[1-ethyl-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]butanamide?
N-[1-ethyl-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]butanamide has a molecular weight of 311.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]butanamide is sourced from PubChem (CID 46263440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).