N-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide

C20H22N4O2 — CID 134012185

IUPACN-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide
SMILESCn1c(CNC(=O)CCNC(=O)Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C20H22N4O2/c1-24-17-10-6-5-9-16(17)23-18(24)14-22-19(25)11-12-21-20(26)13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,21,26)(H,22,25)
InChIKeyWESCKFCLUZIKLR-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.94
Rot. Bonds7

About N-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide

N-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide (PubChem CID 134012185) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide
PubChem CID134012185
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide
SMILESCn1c(CNC(=O)CCNC(=O)Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C20H22N4O2/c1-24-17-10-6-5-9-16(17)23-18(24)14-22-19(25)11-12-21-20(26)13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,21,26)(H,22,25)
InChIKeyWESCKFCLUZIKLR-UHFFFAOYSA-N
XLogP1.94
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2-phenylacetyl)amino]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-(2-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 60528463
7-amino-N-[(1-methylbenzimidazol-2-yl)methyl]heptanamide;dihydrochloride
CID 119834811
2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide
CID 62997725
3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 75489076
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(phenylcarbamoylamino)acetamide
CID 24583701
3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 51510547
1-benzyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrole-2-carboxamide
CID 134022967
2-(4-chlorophenyl)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]acetamide
CID 16993804
2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
CID 47012390
2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007407
3-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]benzoic acid
CID 75514350
N-butan-2-yl-3-[(1-methylbenzimidazol-2-yl)methylamino]propanamide
CID 63002029

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide (CID 134012185) is N-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide is Cn1c(CNC(=O)CCNC(=O)Cc2ccccc2)nc2ccccc21.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide?
The InChIKey is WESCKFCLUZIKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-24-17-10-6-5-9-16(17)23-18(24)14-22-19(25)11-12-21-20(26)13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,21,26)(H,22,25).
What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide?
N-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide has a molecular weight of 350.42 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide is sourced from PubChem (CID 134012185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).