1-[2-(4-chloroanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzimidazole-2-carboxamide

C24H28ClN5O2 — CID 11442390

IUPAC1-[2-(4-chloroanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzimidazole-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2nc3ccccc3n2CC(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H28ClN5O2/c1-16(2)29-13-11-19(12-14-29)27-24(32)23-28-20-5-3-4-6-21(20)30(23)15-22(31)26-18-9-7-17(25)8-10-18/h3-10,16,19H,11-15H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyGVQVCTSCVQLKIK-UHFFFAOYSA-N
MW453.97 g/mol
LogP3.93
Rot. Bonds6

About 1-[2-(4-chloroanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzimidazole-2-carboxamide

1-[2-(4-chloroanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzimidazole-2-carboxamide (PubChem CID 11442390) has the molecular formula C24H28ClN5O2 and a molecular weight of 453.97 g/mol. Its IUPAC name is 1-[2-(4-chloroanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzimidazole-2-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chloroanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzimidazole-2-carboxamide
PubChem CID11442390
Molecular FormulaC24H28ClN5O2
Molecular Weight453.97 g/mol
Exact Mass453.19
IUPAC Name1-[2-(4-chloroanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzimidazole-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2nc3ccccc3n2CC(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H28ClN5O2/c1-16(2)29-13-11-19(12-14-29)27-24(32)23-28-20-5-3-4-6-21(20)30(23)15-22(31)26-18-9-7-17(25)8-10-18/h3-10,16,19H,11-15H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyGVQVCTSCVQLKIK-UHFFFAOYSA-N
XLogP3.93
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.97
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(4-chloroanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzimidazole-2-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-(6-chloro-1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-one
CID 44590807
1-(5-chloro-1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-one
CID 44590868
(5-chloro-1H-benzimidazol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 10446295
5-Chloro-1-(phenylmethyl)-2-piperazin-1-ylbenzimidazole
CID 10806082
2-(4-chlorophenyl)-1-{3-[4-(3-acetylaminophenyl)piperidin-1-yl]propyl}-1H-benzimidazole
CID 25058425
1-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S)-piperidin-3-yl]benzimidazole-2-carboxamide
CID 58355440
N-{2-[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]ethyl}acetamide
CID 1505390
2-[[4-(4-Chlorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole
CID 798232
4-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 715178
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl]-N-(2-chlorophenyl)acetamide
CID 1006981
N-(2-bromophenyl)-2-(4-(2-methyl-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)acetamide
CID 1462274
1-(2-Chlorophenyl)-3-(1-Methylbenzimidazol-2-Yl)urea
CID 35280363

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloroanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzimidazole-2-carboxamide?
The IUPAC name of 1-[2-(4-chloroanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzimidazole-2-carboxamide (CID 11442390) is 1-[2-(4-chloroanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzimidazole-2-carboxamide.
What is the SMILES notation for 1-[2-(4-chloroanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzimidazole-2-carboxamide?
The canonical SMILES for 1-[2-(4-chloroanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzimidazole-2-carboxamide is CC(C)N1CCC(NC(=O)c2nc3ccccc3n2CC(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[2-(4-chloroanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzimidazole-2-carboxamide?
The InChIKey is GVQVCTSCVQLKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O2/c1-16(2)29-13-11-19(12-14-29)27-24(32)23-28-20-5-3-4-6-21(20)30(23)15-22(31)26-18-9-7-17(25)8-10-18/h3-10,16,19H,11-15H2,1-2H3,(H,26,31)(H,27,32).
What are the key properties of 1-[2-(4-chloroanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzimidazole-2-carboxamide?
1-[2-(4-chloroanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzimidazole-2-carboxamide has a molecular weight of 453.97 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloroanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzimidazole-2-carboxamide is sourced from PubChem (CID 11442390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).