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

C26H25ClN4O2 — CID 11705277

IUPAC2-[4-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxyphenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(OC4CCCN(Cc5ccc(Cl)cc5)C4)cc3)[nH]c2c1
InChIInChI=1S/C26H25ClN4O2/c27-20-8-3-17(4-9-20)15-31-13-1-2-22(16-31)33-21-10-5-18(6-11-21)26-29-23-12-7-19(25(28)32)14-24(23)30-26/h3-12,14,22H,1-2,13,15-16H2,(H2,28,32)(H,29,30)
InChIKeyATXZSOWKMJBHBF-UHFFFAOYSA-N
MW460.97 g/mol
LogP5.03
Rot. Bonds6

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

2-[4-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxyphenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 11705277) has the molecular formula C26H25ClN4O2 and a molecular weight of 460.97 g/mol. Its IUPAC name is 2-[4-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxyphenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxyphenyl]-3H-benzimidazole-5-carboxamide
PubChem CID11705277
Molecular FormulaC26H25ClN4O2
Molecular Weight460.97 g/mol
Exact Mass460.17
IUPAC Name2-[4-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxyphenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(OC4CCCN(Cc5ccc(Cl)cc5)C4)cc3)[nH]c2c1
InChIInChI=1S/C26H25ClN4O2/c27-20-8-3-17(4-9-20)15-31-13-1-2-22(16-31)33-21-10-5-18(6-11-21)26-29-23-12-7-19(25(28)32)14-24(23)30-26/h3-12,14,22H,1-2,13,15-16H2,(H2,28,32)(H,29,30)
InChIKeyATXZSOWKMJBHBF-UHFFFAOYSA-N
XLogP5.03
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.97
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(1-benzylpiperidin-4-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide
CID 11524997
2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-benzimidazole-5-carboxamide
CID 11538128
2-[4-[(4-chlorophenyl)-hydroxymethyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 11394800
2-[4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 10155700
2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-3H-benzimidazole-5-carboxamide
CID 10113332
1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol
CID 44526297
2-[4-(thian-4-ylmethyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 11983488
(4-benzylpiperazin-1-yl)-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methanone
CID 100580536
5-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxy-1H-indazole;hydrochloride
CID 162336125
2-[4-[2-(1-phenylpiperidin-4-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide
CID 67073354
[(2R)-1-[[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 141198459
ethyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate
CID 91673681

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxyphenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxyphenyl]-3H-benzimidazole-5-carboxamide (CID 11705277) is 2-[4-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxyphenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxyphenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxyphenyl]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(OC4CCCN(Cc5ccc(Cl)cc5)C4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxyphenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is ATXZSOWKMJBHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O2/c27-20-8-3-17(4-9-20)15-31-13-1-2-22(16-31)33-21-10-5-18(6-11-21)26-29-23-12-7-19(25(28)32)14-24(23)30-26/h3-12,14,22H,1-2,13,15-16H2,(H2,28,32)(H,29,30).
What are the key properties of 2-[4-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxyphenyl]-3H-benzimidazole-5-carboxamide?
2-[4-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxyphenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 460.97 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxyphenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11705277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).