(6-hydroxy-1H-benzimidazol-2-yl)-[4-[(4-methylphenyl)methyl]piperidin-1-yl]methanone

C21H23N3O2 — CID 10291485

IUPAC(6-hydroxy-1H-benzimidazol-2-yl)-[4-[(4-methylphenyl)methyl]piperidin-1-yl]methanone
SMILESCc1ccc(CC2CCN(C(=O)c3nc4ccc(O)cc4[nH]3)CC2)cc1
InChIInChI=1S/C21H23N3O2/c1-14-2-4-15(5-3-14)12-16-8-10-24(11-9-16)21(26)20-22-18-7-6-17(25)13-19(18)23-20/h2-7,13,16,25H,8-12H2,1H3,(H,22,23)
InChIKeyOSXYEGVWXKWYRA-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.67
Rot. Bonds3

About (6-hydroxy-1H-benzimidazol-2-yl)-[4-[(4-methylphenyl)methyl]piperidin-1-yl]methanone

(6-hydroxy-1H-benzimidazol-2-yl)-[4-[(4-methylphenyl)methyl]piperidin-1-yl]methanone (PubChem CID 10291485) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (6-hydroxy-1H-benzimidazol-2-yl)-[4-[(4-methylphenyl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-hydroxy-1H-benzimidazol-2-yl)-[4-[(4-methylphenyl)methyl]piperidin-1-yl]methanone
PubChem CID10291485
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(6-hydroxy-1H-benzimidazol-2-yl)-[4-[(4-methylphenyl)methyl]piperidin-1-yl]methanone
SMILESCc1ccc(CC2CCN(C(=O)c3nc4ccc(O)cc4[nH]3)CC2)cc1
InChIInChI=1S/C21H23N3O2/c1-14-2-4-15(5-3-14)12-16-8-10-24(11-9-16)21(26)20-22-18-7-6-17(25)13-19(18)23-20/h2-7,13,16,25H,8-12H2,1H3,(H,22,23)
InChIKeyOSXYEGVWXKWYRA-UHFFFAOYSA-N
XLogP3.67
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol
CID 9840849
2-[[4-[(2,6-difluorophenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol
CID 10316274
3-Benzyl-2-piperazin-1-ylbenzimidazol-5-ol
CID 10357932
2-[[4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol
CID 10472142
1-Benzyl-2-piperazin-1-ylbenzimidazol-5-ol
CID 10804748
2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol
CID 10337265
N-[6-[[(E)-3-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enoyl]amino]hexyl]-3-(6-methoxy-1H-benzimidazol-2-yl)propanamide
CID 166635451
2-((4-(4-Iodobenzyl)piperidin-1-yl)methyl)benzimidazol-5-ol
CID 52941029
2-phenyl-4-(piperidin-1-ylmethyl)-1H-benzimidazol-5-ol
CID 1394668
(4-benzylpiperidin-1-yl)(5-hydroxy-1H-benzo[d]imidazol-2-yl)methanone
CID 9862547
2-(4-Benzyl-piperidin-1-ylmethyl)-3H-benzoimidazol-5-ol
CID 9883600
2-[[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol
CID 10042818

Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-1H-benzimidazol-2-yl)-[4-[(4-methylphenyl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (6-hydroxy-1H-benzimidazol-2-yl)-[4-[(4-methylphenyl)methyl]piperidin-1-yl]methanone (CID 10291485) is (6-hydroxy-1H-benzimidazol-2-yl)-[4-[(4-methylphenyl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (6-hydroxy-1H-benzimidazol-2-yl)-[4-[(4-methylphenyl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (6-hydroxy-1H-benzimidazol-2-yl)-[4-[(4-methylphenyl)methyl]piperidin-1-yl]methanone is Cc1ccc(CC2CCN(C(=O)c3nc4ccc(O)cc4[nH]3)CC2)cc1.
What is the InChIKey of (6-hydroxy-1H-benzimidazol-2-yl)-[4-[(4-methylphenyl)methyl]piperidin-1-yl]methanone?
The InChIKey is OSXYEGVWXKWYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-2-4-15(5-3-14)12-16-8-10-24(11-9-16)21(26)20-22-18-7-6-17(25)13-19(18)23-20/h2-7,13,16,25H,8-12H2,1H3,(H,22,23).
What are the key properties of (6-hydroxy-1H-benzimidazol-2-yl)-[4-[(4-methylphenyl)methyl]piperidin-1-yl]methanone?
(6-hydroxy-1H-benzimidazol-2-yl)-[4-[(4-methylphenyl)methyl]piperidin-1-yl]methanone has a molecular weight of 349.43 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-1H-benzimidazol-2-yl)-[4-[(4-methylphenyl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 10291485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).