N-(3-chloro-2-methylphenyl)-1-[2-(propan-2-ylcarbamoylamino)ethyl]benzimidazole-5-carboxamide

C21H24ClN5O2 — CID 50849196

IUPACN-(3-chloro-2-methylphenyl)-1-[2-(propan-2-ylcarbamoylamino)ethyl]benzimidazole-5-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc2c(c1)ncn2CCNC(=O)NC(C)C
InChIInChI=1S/C21H24ClN5O2/c1-13(2)25-21(29)23-9-10-27-12-24-18-11-15(7-8-19(18)27)20(28)26-17-6-4-5-16(22)14(17)3/h4-8,11-13H,9-10H2,1-3H3,(H,26,28)(H2,23,25,29)
InChIKeyHIXHRBYRCVCMGN-UHFFFAOYSA-N
MW413.91 g/mol
LogP3.96
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-1-[2-(propan-2-ylcarbamoylamino)ethyl]benzimidazole-5-carboxamide

N-(3-chloro-2-methylphenyl)-1-[2-(propan-2-ylcarbamoylamino)ethyl]benzimidazole-5-carboxamide (PubChem CID 50849196) has the molecular formula C21H24ClN5O2 and a molecular weight of 413.91 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1-[2-(propan-2-ylcarbamoylamino)ethyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1-[2-(propan-2-ylcarbamoylamino)ethyl]benzimidazole-5-carboxamide
PubChem CID50849196
Molecular FormulaC21H24ClN5O2
Molecular Weight413.91 g/mol
Exact Mass413.16
IUPAC NameN-(3-chloro-2-methylphenyl)-1-[2-(propan-2-ylcarbamoylamino)ethyl]benzimidazole-5-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc2c(c1)ncn2CCNC(=O)NC(C)C
InChIInChI=1S/C21H24ClN5O2/c1-13(2)25-21(29)23-9-10-27-12-24-18-11-15(7-8-19(18)27)20(28)26-17-6-4-5-16(22)14(17)3/h4-8,11-13H,9-10H2,1-3H3,(H,26,28)(H2,23,25,29)
InChIKeyHIXHRBYRCVCMGN-UHFFFAOYSA-N
XLogP3.96
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-2-methylphenyl)-1-[2-(propan-2-ylcarbamoylamino)ethyl]benzimidazole-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

1-[2-[(4-fluorophenyl)methylcarbamoylamino]ethyl]-N-propan-2-ylbenzimidazole-5-carboxamide
CID 20975005
1-(2-ethylphenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea
CID 20974914
1-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 20974870
methyl 2-[2-[5-(piperidine-1-carbonyl)benzimidazol-1-yl]ethylcarbamoylamino]benzoate
CID 20974931
N-(3-chloro-2-methylphenyl)-3-methoxy-2-methylindazole-6-carboxamide
CID 90609202
1-(3-methoxyphenyl)-3-[2-[5-(piperidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea
CID 20974932
3-chloro-N-(3-chloro-2-methylphenyl)-4-ethoxybenzamide
CID 886779
1-(4-fluorophenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea
CID 20974888
1-(2-ethylphenyl)-3-[2-[5-(propan-2-ylsulfamoyl)benzimidazol-1-yl]ethyl]urea
CID 50846879
N-[2-(5-chlorobenzimidazol-1-yl)ethyl]-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 110204340
N-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9011354
N-[(2-methylphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
CID 53041061

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1-[2-(propan-2-ylcarbamoylamino)ethyl]benzimidazole-5-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1-[2-(propan-2-ylcarbamoylamino)ethyl]benzimidazole-5-carboxamide (CID 50849196) is N-(3-chloro-2-methylphenyl)-1-[2-(propan-2-ylcarbamoylamino)ethyl]benzimidazole-5-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1-[2-(propan-2-ylcarbamoylamino)ethyl]benzimidazole-5-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1-[2-(propan-2-ylcarbamoylamino)ethyl]benzimidazole-5-carboxamide is Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)ncn2CCNC(=O)NC(C)C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1-[2-(propan-2-ylcarbamoylamino)ethyl]benzimidazole-5-carboxamide?
The InChIKey is HIXHRBYRCVCMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O2/c1-13(2)25-21(29)23-9-10-27-12-24-18-11-15(7-8-19(18)27)20(28)26-17-6-4-5-16(22)14(17)3/h4-8,11-13H,9-10H2,1-3H3,(H,26,28)(H2,23,25,29).
What are the key properties of N-(3-chloro-2-methylphenyl)-1-[2-(propan-2-ylcarbamoylamino)ethyl]benzimidazole-5-carboxamide?
N-(3-chloro-2-methylphenyl)-1-[2-(propan-2-ylcarbamoylamino)ethyl]benzimidazole-5-carboxamide has a molecular weight of 413.91 g/mol, XLogP of 3.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1-[2-(propan-2-ylcarbamoylamino)ethyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 50849196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).