1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide

C25H29N5O3 — CID 10195094

IUPAC1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCC(N)=O)C1CCCCC1
InChIInChI=1S/C25H29N5O3/c1-29(19-10-6-3-7-11-19)24(33)18-12-13-21-20(16-18)27-25(30(21)15-14-22(26)31)28-23(32)17-8-4-2-5-9-17/h2,4-5,8-9,12-13,16,19H,3,6-7,10-11,14-15H2,1H3,(H2,26,31)(H,27,28,32)
InChIKeyNSSNPHNDZBWWAR-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.57
Rot. Bonds7

About 1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide

1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide (PubChem CID 10195094) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide
PubChem CID10195094
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCC(N)=O)C1CCCCC1
InChIInChI=1S/C25H29N5O3/c1-29(19-10-6-3-7-11-19)24(33)18-12-13-21-20(16-18)27-25(30(21)15-14-22(26)31)28-23(32)17-8-4-2-5-9-17/h2,4-5,8-9,12-13,16,19H,3,6-7,10-11,14-15H2,1H3,(H2,26,31)(H,27,28,32)
InChIKeyNSSNPHNDZBWWAR-UHFFFAOYSA-N
XLogP3.57
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide 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

Dabigatran
CID 216210
Tsr-011
CID 57345941
2-(1-propylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
CID 9925908
Dabigatran Ethyl Ester
CID 446804
3-(1-(2-(diethylamino)ethyl)-2-phenethyl-1H-benzo[d]imidazol-5-yl)-N-hydroxyacrylamide
CID 6918876
AG-14361
CID 9840076
Brd4770
CID 72193870
[1-(3-Methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone
CID 3243760
tert-butyl (3S,4S)-3-(hydroxycarbamoyl)-4-({4-[(2-methyl-1H-1,3-benzodiazol-1-yl)methyl]benzene}amido)pyrrolidine-1-carboxylate
CID 10163627
tert-butyl (3S,4S)-3-(hydroxycarbamoyl)-4-[(4-{[2-(propan-2-yl)-1H-1,3-benzodiazol-1-yl]methyl}benzene)amido]pyrrolidine-1-carboxylate
CID 10208262
N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-4-{[2-(propan-2-yl)-1H-1,3-benzodiazol-1-yl]methyl}benzamide
CID 10273657
Bix 02565
CID 53246941

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide?
The IUPAC name of 1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide (CID 10195094) is 1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide is CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCC(N)=O)C1CCCCC1.
What is the InChIKey of 1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide?
The InChIKey is NSSNPHNDZBWWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-29(19-10-6-3-7-11-19)24(33)18-12-13-21-20(16-18)27-25(30(21)15-14-22(26)31)28-23(32)17-8-4-2-5-9-17/h2,4-5,8-9,12-13,16,19H,3,6-7,10-11,14-15H2,1H3,(H2,26,31)(H,27,28,32).
What are the key properties of 1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide?
1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 10195094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).