N-(2-chloro-4-methylphenyl)-2-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]sulfanylpropanamide

C23H27ClN4OS — CID 70811209

IUPACN-(2-chloro-4-methylphenyl)-2-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]sulfanylpropanamide
SMILESCc1ccc(NC(=O)C(C)Sc2nc3ccccc3n2CC2CCNCC2)c(Cl)c1
InChIInChI=1S/C23H27ClN4OS/c1-15-7-8-19(18(24)13-15)26-22(29)16(2)30-23-27-20-5-3-4-6-21(20)28(23)14-17-9-11-25-12-10-17/h3-8,13,16-17,25H,9-12,14H2,1-2H3,(H,26,29)
InChIKeyUXJFIAPOJGYJIS-UHFFFAOYSA-N
MW443.02 g/mol
LogP5.12
Rot. Bonds6

About N-(2-chloro-4-methylphenyl)-2-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]sulfanylpropanamide

N-(2-chloro-4-methylphenyl)-2-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]sulfanylpropanamide (PubChem CID 70811209) has the molecular formula C23H27ClN4OS and a molecular weight of 443.02 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]sulfanylpropanamide
PubChem CID70811209
Molecular FormulaC23H27ClN4OS
Molecular Weight443.02 g/mol
Exact Mass442.16
IUPAC NameN-(2-chloro-4-methylphenyl)-2-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]sulfanylpropanamide
SMILESCc1ccc(NC(=O)C(C)Sc2nc3ccccc3n2CC2CCNCC2)c(Cl)c1
InChIInChI=1S/C23H27ClN4OS/c1-15-7-8-19(18(24)13-15)26-22(29)16(2)30-23-27-20-5-3-4-6-21(20)28(23)14-17-9-11-25-12-10-17/h3-8,13,16-17,25H,9-12,14H2,1-2H3,(H,26,29)
InChIKeyUXJFIAPOJGYJIS-UHFFFAOYSA-N
XLogP5.12
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.02
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-chloro-4-methylphenyl)-2-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]sulfanylpropanamide 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

2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2-chloro-4-methylphenyl)propanamide
CID 70695921
N-(2-chloro-4-methylphenyl)-2-[1-[2-[pentyl(propyl)amino]ethyl]benzimidazol-2-yl]sulfanylpropanamide
CID 130183548
(2R)-N-(2-chloro-4-methylphenyl)-2-[1-[4-(2-morpholin-4-ylethyl)phenyl]benzimidazol-2-yl]sulfanylpropanamide
CID 90069180
N-(2-chloro-4-methylphenyl)-2-(3-phenylimidazo[4,5-b]pyridin-2-yl)sulfanylpropanamide
CID 70811207
(2R)-N-(2,3-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
CID 7246434
N-(5-chloro-2-methylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 46618093
(2R)-N-cyclopropyl-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanamide
CID 7246705
(2S)-N-cyclopropyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
CID 7246577
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanamide
CID 7224530
(2S)-N-(2-chloro-4-fluorophenyl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanamide
CID 2617602
N-(3-chloro-2-methylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 46630033
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51234509

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]sulfanylpropanamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]sulfanylpropanamide (CID 70811209) is N-(2-chloro-4-methylphenyl)-2-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]sulfanylpropanamide is Cc1ccc(NC(=O)C(C)Sc2nc3ccccc3n2CC2CCNCC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]sulfanylpropanamide?
The InChIKey is UXJFIAPOJGYJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4OS/c1-15-7-8-19(18(24)13-15)26-22(29)16(2)30-23-27-20-5-3-4-6-21(20)28(23)14-17-9-11-25-12-10-17/h3-8,13,16-17,25H,9-12,14H2,1-2H3,(H,26,29).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]sulfanylpropanamide?
N-(2-chloro-4-methylphenyl)-2-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]sulfanylpropanamide has a molecular weight of 443.02 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 70811209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).