N-[3-[1-[3-[2-(5-chloro-2-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide

C30H33ClN4O2 — CID 25114289

IUPACN-[3-[1-[3-[2-(5-chloro-2-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
SMILESCOc1ccc(Cl)cc1-c1nc2ccccc2n1CCCN1CCC(c2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C30H33ClN4O2/c1-21(36)32-25-8-5-7-23(19-25)22-13-17-34(18-14-22)15-6-16-35-28-10-4-3-9-27(28)33-30(35)26-20-24(31)11-12-29(26)37-2/h3-5,7-12,19-20,22H,6,13-18H2,1-2H3,(H,32,36)
InChIKeySQKWRPZESSMDSR-UHFFFAOYSA-N
MW517.07 g/mol
LogP6.59
Rot. Bonds8

About N-[3-[1-[3-[2-(5-chloro-2-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide

N-[3-[1-[3-[2-(5-chloro-2-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide (PubChem CID 25114289) has the molecular formula C30H33ClN4O2 and a molecular weight of 517.07 g/mol. Its IUPAC name is N-[3-[1-[3-[2-(5-chloro-2-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[3-[2-(5-chloro-2-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
PubChem CID25114289
Molecular FormulaC30H33ClN4O2
Molecular Weight517.07 g/mol
Exact Mass516.23
IUPAC NameN-[3-[1-[3-[2-(5-chloro-2-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
SMILESCOc1ccc(Cl)cc1-c1nc2ccccc2n1CCCN1CCC(c2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C30H33ClN4O2/c1-21(36)32-25-8-5-7-23(19-25)22-13-17-34(18-14-22)15-6-16-35-28-10-4-3-9-27(28)33-30(35)26-20-24(31)11-12-29(26)37-2/h3-5,7-12,19-20,22H,6,13-18H2,1-2H3,(H,32,36)
InChIKeySQKWRPZESSMDSR-UHFFFAOYSA-N
XLogP6.59
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.07
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[1-[3-[2-(5-chloro-2-methoxyphenyl)-5,6-dimethylbenzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 25115626
N-[3-[1-[3-[2-(3-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 25116307
N-[3-[1-[5-(2-phenylbenzimidazol-1-yl)pentyl]piperidin-4-yl]phenyl]acetamide
CID 25115852
N-[3-[1-[3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 59365356
N-[3-[1-[3-[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 25116781
N-[3-[1-[3-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide
CID 11591644
N-[3-[1-[3-[2-(pyridin-2-ylmethyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 59365369
N-[3-[1-[3-[2-(2-chlorophenyl)-5-nitrobenzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 68602814
N-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide
CID 16756402
N-[3-[1-[3-(6-bromo-2,5-dimethylimidazo[4,5-b]pyridin-3-yl)propyl]piperidin-4-yl]phenyl]acetamide
CID 59365347
N-[3-[1-[3-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-isocyanophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide
CID 160803460
N-[3-[1-[3-[4-(4-chlorophenyl)sulfanyl-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 71726980

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-[2-(5-chloro-2-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[3-[2-(5-chloro-2-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide (CID 25114289) is N-[3-[1-[3-[2-(5-chloro-2-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[3-[2-(5-chloro-2-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[3-[2-(5-chloro-2-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide is COc1ccc(Cl)cc1-c1nc2ccccc2n1CCCN1CCC(c2cccc(NC(C)=O)c2)CC1.
What is the InChIKey of N-[3-[1-[3-[2-(5-chloro-2-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The InChIKey is SQKWRPZESSMDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33ClN4O2/c1-21(36)32-25-8-5-7-23(19-25)22-13-17-34(18-14-22)15-6-16-35-28-10-4-3-9-27(28)33-30(35)26-20-24(31)11-12-29(26)37-2/h3-5,7-12,19-20,22H,6,13-18H2,1-2H3,(H,32,36).
What are the key properties of N-[3-[1-[3-[2-(5-chloro-2-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
N-[3-[1-[3-[2-(5-chloro-2-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide has a molecular weight of 517.07 g/mol, XLogP of 6.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[3-[2-(5-chloro-2-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 25114289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).