N-[2-(3,4-dichlorophenyl)-4-[4-[1-[(4-fluorophenyl)methyl]benzimidazole-2-carbonyl]piperidin-1-yl]butyl]-N-methylbenzamide

C38H37Cl2FN4O2 — CID 10211907

IUPACN-[2-(3,4-dichlorophenyl)-4-[4-[1-[(4-fluorophenyl)methyl]benzimidazole-2-carbonyl]piperidin-1-yl]butyl]-N-methylbenzamide
SMILESCN(CC(CCN1CCC(C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
InChIInChI=1S/C38H37Cl2FN4O2/c1-43(38(47)28-7-3-2-4-8-28)25-30(29-13-16-32(39)33(40)23-29)19-22-44-20-17-27(18-21-44)36(46)37-42-34-9-5-6-10-35(34)45(37)24-26-11-14-31(41)15-12-26/h2-16,23,27,30H,17-22,24-25H2,1H3
InChIKeyKYTQHBLGYJZOCJ-UHFFFAOYSA-N
MW671.64 g/mol
LogP8.37
Rot. Bonds11

About N-[2-(3,4-dichlorophenyl)-4-[4-[1-[(4-fluorophenyl)methyl]benzimidazole-2-carbonyl]piperidin-1-yl]butyl]-N-methylbenzamide

N-[2-(3,4-dichlorophenyl)-4-[4-[1-[(4-fluorophenyl)methyl]benzimidazole-2-carbonyl]piperidin-1-yl]butyl]-N-methylbenzamide (PubChem CID 10211907) has the molecular formula C38H37Cl2FN4O2 and a molecular weight of 671.64 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-4-[4-[1-[(4-fluorophenyl)methyl]benzimidazole-2-carbonyl]piperidin-1-yl]butyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-4-[4-[1-[(4-fluorophenyl)methyl]benzimidazole-2-carbonyl]piperidin-1-yl]butyl]-N-methylbenzamide
PubChem CID10211907
Molecular FormulaC38H37Cl2FN4O2
Molecular Weight671.64 g/mol
Exact Mass670.23
IUPAC NameN-[2-(3,4-dichlorophenyl)-4-[4-[1-[(4-fluorophenyl)methyl]benzimidazole-2-carbonyl]piperidin-1-yl]butyl]-N-methylbenzamide
SMILESCN(CC(CCN1CCC(C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
InChIInChI=1S/C38H37Cl2FN4O2/c1-43(38(47)28-7-3-2-4-8-28)25-30(29-13-16-32(39)33(40)23-29)19-22-44-20-17-27(18-21-44)36(46)37-42-34-9-5-6-10-35(34)45(37)24-26-11-14-31(41)15-12-26/h2-16,23,27,30H,17-22,24-25H2,1H3
InChIKeyKYTQHBLGYJZOCJ-UHFFFAOYSA-N
XLogP8.37
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.64
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[1-[3-(4-fluorophenyl)-4-[methyl-(3,4,5-trimethoxybenzoyl)amino]butyl]piperidine-4-carbonyl]benzimidazol-1-yl]methyl]benzoic acid
CID 67635838
N-[2-(3,4-dichlorophenyl)-4-[4-[1-(furan-3-ylmethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]butyl]-N-methylbenzamide
CID 21223606
N-[2-(3,4-dichlorophenyl)-4-[4-[1-(4,4,4-trifluorobutyl)benzimidazole-2-carbonyl]piperidin-1-yl]butyl]-2-methoxy-N-methyl-5-(2H-triazol-4-yl)benzamide
CID 54177392
N-[4-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-4-hydroxypiperidin-1-yl]-2-(4-methoxyphenyl)butyl]-N-methylbenzamide
CID 15870531
N-[4-[4-[benzoyl-(1-methylpiperidin-4-yl)amino]piperidin-1-yl]-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide
CID 69113639
N-[4-[4-[benzoyl(cyclohexyl)amino]piperidin-1-yl]-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide
CID 69113868
N-[(2S)-2-(3,4-dichlorophenyl)-4-(4-pyridin-2-ylpiperidin-1-yl)butyl]-N-methylbenzamide;hydrochloride
CID 67713411
N-[2-(3,4-dichlorophenyl)-4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]butyl]-4-fluoro-N-methylbenzamide
CID 69223496
N-[4-[4-[cyclopropanecarbonyl-(1-methylpiperidin-4-yl)amino]piperidin-1-yl]-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide
CID 24738074
N-[2-(3,4-dichlorophenyl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-N-methylbenzamide
CID 19029155
N-[2-(3,4-dichlorophenyl)-4-[4-(2-sulfanyl-1,3-diazinan-1-yl)piperidin-1-yl]butyl]-N-methylbenzamide
CID 87739485
N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-(6-oxo-2,3-dihydropyridin-1-yl)piperidin-1-yl]butyl]-N-methylbenzamide;hydrochloride
CID 67747255

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-4-[4-[1-[(4-fluorophenyl)methyl]benzimidazole-2-carbonyl]piperidin-1-yl]butyl]-N-methylbenzamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-4-[4-[1-[(4-fluorophenyl)methyl]benzimidazole-2-carbonyl]piperidin-1-yl]butyl]-N-methylbenzamide (CID 10211907) is N-[2-(3,4-dichlorophenyl)-4-[4-[1-[(4-fluorophenyl)methyl]benzimidazole-2-carbonyl]piperidin-1-yl]butyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-4-[4-[1-[(4-fluorophenyl)methyl]benzimidazole-2-carbonyl]piperidin-1-yl]butyl]-N-methylbenzamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-4-[4-[1-[(4-fluorophenyl)methyl]benzimidazole-2-carbonyl]piperidin-1-yl]butyl]-N-methylbenzamide is CN(CC(CCN1CCC(C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-4-[4-[1-[(4-fluorophenyl)methyl]benzimidazole-2-carbonyl]piperidin-1-yl]butyl]-N-methylbenzamide?
The InChIKey is KYTQHBLGYJZOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37Cl2FN4O2/c1-43(38(47)28-7-3-2-4-8-28)25-30(29-13-16-32(39)33(40)23-29)19-22-44-20-17-27(18-21-44)36(46)37-42-34-9-5-6-10-35(34)45(37)24-26-11-14-31(41)15-12-26/h2-16,23,27,30H,17-22,24-25H2,1H3.
What are the key properties of N-[2-(3,4-dichlorophenyl)-4-[4-[1-[(4-fluorophenyl)methyl]benzimidazole-2-carbonyl]piperidin-1-yl]butyl]-N-methylbenzamide?
N-[2-(3,4-dichlorophenyl)-4-[4-[1-[(4-fluorophenyl)methyl]benzimidazole-2-carbonyl]piperidin-1-yl]butyl]-N-methylbenzamide has a molecular weight of 671.64 g/mol, XLogP of 8.37, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-4-[4-[1-[(4-fluorophenyl)methyl]benzimidazole-2-carbonyl]piperidin-1-yl]butyl]-N-methylbenzamide is sourced from PubChem (CID 10211907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).