3-(1H-benzimidazol-2-yl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]propanamide

C17H21N5O — CID 94026684

IUPAC3-(1H-benzimidazol-2-yl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]propanamide
SMILESC[C@H](CNC(=O)CCc1nc2ccccc2[nH]1)Cn1cccn1
InChIInChI=1S/C17H21N5O/c1-13(12-22-10-4-9-19-22)11-18-17(23)8-7-16-20-14-5-2-3-6-15(14)21-16/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,18,23)(H,20,21)/t13-/m1/s1
InChIKeyJDLQDVNDHSOVNQ-CYBMUJFWSA-N
MW311.39 g/mol
LogP2.14
Rot. Bonds7

About 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]propanamide

3-(1H-benzimidazol-2-yl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]propanamide (PubChem CID 94026684) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]propanamide
PubChem CID94026684
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]propanamide
SMILESC[C@H](CNC(=O)CCc1nc2ccccc2[nH]1)Cn1cccn1
InChIInChI=1S/C17H21N5O/c1-13(12-22-10-4-9-19-22)11-18-17(23)8-7-16-20-14-5-2-3-6-15(14)21-16/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,18,23)(H,20,21)/t13-/m1/s1
InChIKeyJDLQDVNDHSOVNQ-CYBMUJFWSA-N
XLogP2.14
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
CID 83031876
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 35955679
3-(1H-benzimidazol-2-yl)-N-(3,3-difluoro-2-hydroxypropyl)propanamide
CID 103770477
N-[3-[3-(1H-benzimidazol-2-yl)propanoylamino]phenyl]-2-pyrazol-1-ylpropanamide
CID 46468409
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)acetamide
CID 47078412
3-(1H-benzimidazol-2-yl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]propanamide
CID 51113520
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 77090072
(2S)-2-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-methylbutanoic acid
CID 61136264
3-(1H-benzimidazol-2-yl)-N-(1-pyridin-2-ylethyl)propanamide
CID 43045567
2-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-hydroxybutanoic acid
CID 43353591
3-[3-(1H-benzimidazol-2-yl)propanoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66172764
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride
CID 120564313

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]propanamide (CID 94026684) is 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]propanamide is C[C@H](CNC(=O)CCc1nc2ccccc2[nH]1)Cn1cccn1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]propanamide?
The InChIKey is JDLQDVNDHSOVNQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N5O/c1-13(12-22-10-4-9-19-22)11-18-17(23)8-7-16-20-14-5-2-3-6-15(14)21-16/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,18,23)(H,20,21)/t13-/m1/s1.
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]propanamide?
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]propanamide has a molecular weight of 311.39 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]propanamide is sourced from PubChem (CID 94026684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).