N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide

C18H22N4O2 — CID 71878303

IUPACN-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
SMILESCc1ccc(CNC(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)n1C
InChIInChI=1S/C18H22N4O2/c1-12-6-8-14(22(12)2)11-19-17(23)5-3-4-13-7-9-15-16(10-13)21-18(24)20-15/h6-10H,3-5,11H2,1-2H3,(H,19,23)(H2,20,21,24)
InChIKeyQCHHODSDHLVUEV-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.14
Rot. Bonds6

About N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide

N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide (PubChem CID 71878303) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
PubChem CID71878303
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
SMILESCc1ccc(CNC(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)n1C
InChIInChI=1S/C18H22N4O2/c1-12-6-8-14(22(12)2)11-19-17(23)5-3-4-13-7-9-15-16(10-13)21-18(24)20-15/h6-10H,3-5,11H2,1-2H3,(H,19,23)(H2,20,21,24)
InChIKeyQCHHODSDHLVUEV-UHFFFAOYSA-N
XLogP2.14
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide 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-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoylamino]propanoic acid
CID 119350958
4-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide
CID 43620669
3-(3-chloro-4-methylphenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]propanamide
CID 32770995
N-(2-amino-2-ethylbutyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;hydrochloride
CID 119642796
4-oxo-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]butanoic acid
CID 82501247
3-(3-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
CID 110785273
N'-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanehydrazide
CID 116846652
N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
CID 31218879
4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119513434
4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide
CID 166380294
N-[2-(2,6-difluorophenyl)phenyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 167760177
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(ethylamino)propanamide
CID 62832866

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
The IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide (CID 71878303) is N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide.
What is the SMILES notation for N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
The canonical SMILES for N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide is Cc1ccc(CNC(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)n1C.
What is the InChIKey of N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
The InChIKey is QCHHODSDHLVUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-6-8-14(22(12)2)11-19-17(23)5-3-4-13-7-9-15-16(10-13)21-18(24)20-15/h6-10H,3-5,11H2,1-2H3,(H,19,23)(H2,20,21,24).
What are the key properties of N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide has a molecular weight of 326.40 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide is sourced from PubChem (CID 71878303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).