2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole

C26H27N3O — CID 135290527

IUPAC2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole
SMILESc1ccc(COc2ccc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1
InChIInChI=1S/C26H27N3O/c1-2-6-21(7-3-1)19-30-23-12-10-20(11-13-23)18-29-16-14-22(15-17-29)26-27-24-8-4-5-9-25(24)28-26/h1-13,22H,14-19H2,(H,27,28)
InChIKeyCIZZVSWIZZSTAW-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.52
Rot. Bonds6

About 2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole

2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole (PubChem CID 135290527) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole
PubChem CID135290527
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC Name2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole
SMILESc1ccc(COc2ccc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1
InChIInChI=1S/C26H27N3O/c1-2-6-21(7-3-1)19-30-23-12-10-20(11-13-23)18-29-16-14-22(15-17-29)26-27-24-8-4-5-9-25(24)28-26/h1-13,22H,14-19H2,(H,27,28)
InChIKeyCIZZVSWIZZSTAW-UHFFFAOYSA-N
XLogP5.52
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline
CID 51049790
2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-6-methoxy-3-phenylquinoxaline
CID 51049798
4-[[3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 75131931
2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole
CID 16798070
2-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridine
CID 141272197
2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 51137111
2-[1-[(4-phenylphenyl)methyl]azetidin-3-yl]-1H-benzimidazole
CID 166392326
2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 24731939
2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 56787398
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 33117061
oxalic acid;2-(phenoxymethyl)-1-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methyl]benzimidazole
CID 121079280
1,4-bis[(4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 6480590

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole (CID 135290527) is 2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole is c1ccc(COc2ccc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1.
What is the InChIKey of 2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole?
The InChIKey is CIZZVSWIZZSTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c1-2-6-21(7-3-1)19-30-23-12-10-20(11-13-23)18-29-16-14-22(15-17-29)26-27-24-8-4-5-9-25(24)28-26/h1-13,22H,14-19H2,(H,27,28).
What are the key properties of 2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole?
2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole has a molecular weight of 397.52 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole is sourced from PubChem (CID 135290527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).