N-[1-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-1-oxopropan-2-yl]benzamide

C21H24N4O2 — CID 86859963

IUPACN-[1-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)N(C)CCCc1nc2ccccc2[nH]1
InChIInChI=1S/C21H24N4O2/c1-15(22-20(26)16-9-4-3-5-10-16)21(27)25(2)14-8-13-19-23-17-11-6-7-12-18(17)24-19/h3-7,9-12,15H,8,13-14H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyKKPVSEWUZFMBDV-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.77
Rot. Bonds7

About N-[1-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-1-oxopropan-2-yl]benzamide

N-[1-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-1-oxopropan-2-yl]benzamide (PubChem CID 86859963) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[1-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-1-oxopropan-2-yl]benzamide
PubChem CID86859963
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[1-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)N(C)CCCc1nc2ccccc2[nH]1
InChIInChI=1S/C21H24N4O2/c1-15(22-20(26)16-9-4-3-5-10-16)21(27)25(2)14-8-13-19-23-17-11-6-7-12-18(17)24-19/h3-7,9-12,15H,8,13-14H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyKKPVSEWUZFMBDV-UHFFFAOYSA-N
XLogP2.77
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-1-oxopropan-2-yl]benzamide 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

(2S)-2-benzamido-4-(1H-benzimidazol-2-yl)butanoic acid
CID 746051
N-[2-[3-(1H-benzimidazol-2-yl)propylamino]-2-oxoethyl]-N-methylbenzamide
CID 55566777
3-[3-(1H-benzimidazol-2-yl)propanoyl-methylamino]propanoic acid
CID 60988746
N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxy-N-methylquinoline-2-carboxamide
CID 86859939
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-phenylpropan-1-amine
CID 24731956
N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 86859930
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
4-(1H-benzimidazol-2-yl)-N-(6-methylheptan-2-yl)butanamide
CID 46411057
N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide
CID 32757779
N-[1-[3-(1H-benzimidazol-2-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide
CID 55461044
4-(1H-benzimidazol-2-ylmethyl)-N-[5-(diethylamino)pentan-2-yl]benzamide
CID 16759221

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[1-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-1-oxopropan-2-yl]benzamide (CID 86859963) is N-[1-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[1-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1ccccc1)C(=O)N(C)CCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-1-oxopropan-2-yl]benzamide?
The InChIKey is KKPVSEWUZFMBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15(22-20(26)16-9-4-3-5-10-16)21(27)25(2)14-8-13-19-23-17-11-6-7-12-18(17)24-19/h3-7,9-12,15H,8,13-14H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of N-[1-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-1-oxopropan-2-yl]benzamide?
N-[1-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-1-oxopropan-2-yl]benzamide has a molecular weight of 364.45 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 86859963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).