N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide

C23H27ClN4O — CID 24817338

IUPACN-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide
SMILESCN(CC1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C23H27ClN4O/c1-27(23(29)19-6-9-21-22(13-19)26-16-25-21)14-18-3-2-11-28(15-18)12-10-17-4-7-20(24)8-5-17/h4-9,13,16,18H,2-3,10-12,14-15H2,1H3,(H,25,26)
InChIKeyZOAXIDORVLLFBL-UHFFFAOYSA-N
MW410.95 g/mol
LogP4.24
Rot. Bonds6

About N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide

N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide (PubChem CID 24817338) has the molecular formula C23H27ClN4O and a molecular weight of 410.95 g/mol. Its IUPAC name is N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide
PubChem CID24817338
Molecular FormulaC23H27ClN4O
Molecular Weight410.95 g/mol
Exact Mass410.19
IUPAC NameN-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide
SMILESCN(CC1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C23H27ClN4O/c1-27(23(29)19-6-9-21-22(13-19)26-16-25-21)14-18-3-2-11-28(15-18)12-10-17-4-7-20(24)8-5-17/h4-9,13,16,18H,2-3,10-12,14-15H2,1H3,(H,25,26)
InChIKeyZOAXIDORVLLFBL-UHFFFAOYSA-N
XLogP4.24
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thz531
CID 118025540
[1-(3-Methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone
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Ucm 17197
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N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-chlorobenzamide
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2-(2-(4-Chlorophenyl)-1h-Imidazol-5-Yl)-N,1-Bis(2-Methoxyethyl)-1h-Benzo[d]imidazole-5-Carboxamide
CID 53475688
2,6-Dichloro-N-[(2r)-2-(5,6-Dimethyl-1h-Benzimidazol-2-Yl)-2-Phenylethyl]-4-(4h-1,2,4-Triazol-4-Yl)benzamide
CID 91799239

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide (CID 24817338) is N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide is CN(CC1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide?
The InChIKey is ZOAXIDORVLLFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O/c1-27(23(29)19-6-9-21-22(13-19)26-16-25-21)14-18-3-2-11-28(15-18)12-10-17-4-7-20(24)8-5-17/h4-9,13,16,18H,2-3,10-12,14-15H2,1H3,(H,25,26).
What are the key properties of N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide?
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide has a molecular weight of 410.95 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 24817338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).