1-(4-methoxyphenyl)-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole

C23H25N5O — CID 95577174

IUPAC1-(4-methoxyphenyl)-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole
SMILESCOc1ccc(-n2c(CN3CCC[C@H](c4ccn[nH]4)C3)nc3ccccc32)cc1
InChIInChI=1S/C23H25N5O/c1-29-19-10-8-18(9-11-19)28-22-7-3-2-6-21(22)25-23(28)16-27-14-4-5-17(15-27)20-12-13-24-26-20/h2-3,6-13,17H,4-5,14-16H2,1H3,(H,24,26)/t17-/m0/s1
InChIKeyAYSZDQWQKTUUIQ-KRWDZBQOSA-N
MW387.49 g/mol
LogP4.14
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole

1-(4-methoxyphenyl)-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole (PubChem CID 95577174) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole
PubChem CID95577174
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name1-(4-methoxyphenyl)-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole
SMILESCOc1ccc(-n2c(CN3CCC[C@H](c4ccn[nH]4)C3)nc3ccccc32)cc1
InChIInChI=1S/C23H25N5O/c1-29-19-10-8-18(9-11-19)28-22-7-3-2-6-21(22)25-23(28)16-27-14-4-5-17(15-27)20-12-13-24-26-20/h2-3,6-13,17H,4-5,14-16H2,1H3,(H,24,26)/t17-/m0/s1
InChIKeyAYSZDQWQKTUUIQ-KRWDZBQOSA-N
XLogP4.14
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-methoxyphenyl)-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole with MolForge

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Related Compounds

1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119908334
1-ethyl-5-fluoro-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole
CID 95781193
3,4-dimethoxy-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
CID 122139214
tert-butyl N-[1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]carbamate
CID 60512394
1-methyl-2-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]benzimidazole
CID 71926955
(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 125016849
N-[(4-fluorophenyl)methyl]-1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 55837397
(3S)-1-[(2,6-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 124568925
1-(1-benzothiophen-2-ylmethyl)-3-(1H-pyrazol-5-yl)piperidine
CID 126464915
(3R)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N,N-dipropylpiperidine-3-carboxamide
CID 124808449
1-phenyl-4-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperazine
CID 124758004
1-[(2-methylpyrazol-3-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 134696298

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole?
The IUPAC name of 1-(4-methoxyphenyl)-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole (CID 95577174) is 1-(4-methoxyphenyl)-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole is COc1ccc(-n2c(CN3CCC[C@H](c4ccn[nH]4)C3)nc3ccccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole?
The InChIKey is AYSZDQWQKTUUIQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H25N5O/c1-29-19-10-8-18(9-11-19)28-22-7-3-2-6-21(22)25-23(28)16-27-14-4-5-17(15-27)20-12-13-24-26-20/h2-3,6-13,17H,4-5,14-16H2,1H3,(H,24,26)/t17-/m0/s1.
What are the key properties of 1-(4-methoxyphenyl)-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole?
1-(4-methoxyphenyl)-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole has a molecular weight of 387.49 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole is sourced from PubChem (CID 95577174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).