3-(2,5-dimethylpyrrol-1-yl)-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]propanamide

C17H20N4O2 — CID 110204597

IUPAC3-(2,5-dimethylpyrrol-1-yl)-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]propanamide
SMILESCc1ccc(C)n1CCC(=O)Nc1ccc2nc(CO)[nH]c2c1
InChIInChI=1S/C17H20N4O2/c1-11-3-4-12(2)21(11)8-7-17(23)18-13-5-6-14-15(9-13)20-16(10-22)19-14/h3-6,9,22H,7-8,10H2,1-2H3,(H,18,23)(H,19,20)
InChIKeyNJVSFTJIYKIUOJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.50
Rot. Bonds5

About 3-(2,5-dimethylpyrrol-1-yl)-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]propanamide

3-(2,5-dimethylpyrrol-1-yl)-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]propanamide (PubChem CID 110204597) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrrol-1-yl)-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]propanamide.

Molecular Properties

Compound Name3-(2,5-dimethylpyrrol-1-yl)-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]propanamide
PubChem CID110204597
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name3-(2,5-dimethylpyrrol-1-yl)-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]propanamide
SMILESCc1ccc(C)n1CCC(=O)Nc1ccc2nc(CO)[nH]c2c1
InChIInChI=1S/C17H20N4O2/c1-11-3-4-12(2)21(11)8-7-17(23)18-13-5-6-14-15(9-13)20-16(10-22)19-14/h3-6,9,22H,7-8,10H2,1-2H3,(H,18,23)(H,19,20)
InChIKeyNJVSFTJIYKIUOJ-UHFFFAOYSA-N
XLogP2.50
TPSA82.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(2,5-dimethylpyrrol-1-yl)-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]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

N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-6-pyrrol-1-ylhexanamide
CID 127254570
N-(2-ethyl-3H-benzimidazol-5-yl)-3-(methylamino)propanamide
CID 96675307
4-hydroxy-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 79204355
2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]acetamide
CID 125431781
N-(2-methyl-3H-benzimidazol-5-yl)-6-pyrrol-1-ylhexanamide
CID 127255298
3-(2,5-dimethylpyrrol-1-yl)-N-(4-oxo-3H-quinazolin-6-yl)propanamide
CID 135637599
3-chloro-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 43700582
N-(3-anilino-3-oxopropyl)-2-(hydroxymethyl)-3H-benzimidazole-5-carboxamide
CID 74240019
N-(4-acetylphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689025
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-3-pyrazol-1-ylpropanamide
CID 131908353
N-(2-methyl-3H-benzimidazol-5-yl)-3-oxobutanamide
CID 61250337
2-amino-N-(2-butyl-3H-benzimidazol-5-yl)acetamide;dihydrochloride
CID 119854415

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]propanamide?
The IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]propanamide (CID 110204597) is 3-(2,5-dimethylpyrrol-1-yl)-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]propanamide.
What is the SMILES notation for 3-(2,5-dimethylpyrrol-1-yl)-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]propanamide?
The canonical SMILES for 3-(2,5-dimethylpyrrol-1-yl)-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]propanamide is Cc1ccc(C)n1CCC(=O)Nc1ccc2nc(CO)[nH]c2c1.
What is the InChIKey of 3-(2,5-dimethylpyrrol-1-yl)-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]propanamide?
The InChIKey is NJVSFTJIYKIUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11-3-4-12(2)21(11)8-7-17(23)18-13-5-6-14-15(9-13)20-16(10-22)19-14/h3-6,9,22H,7-8,10H2,1-2H3,(H,18,23)(H,19,20).
What are the key properties of 3-(2,5-dimethylpyrrol-1-yl)-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]propanamide?
3-(2,5-dimethylpyrrol-1-yl)-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]propanamide has a molecular weight of 312.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrrol-1-yl)-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]propanamide is sourced from PubChem (CID 110204597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).