[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone

C24H25N5O2 — CID 95807248

IUPAC[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone
SMILESCOc1ccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)cc1Cn1cccn1
InChIInChI=1S/C24H25N5O2/c1-31-22-11-10-17(15-18(22)16-28-13-6-12-25-28)24(30)29-14-5-4-9-21(29)23-26-19-7-2-3-8-20(19)27-23/h2-3,6-8,10-13,15,21H,4-5,9,14,16H2,1H3,(H,26,27)/t21-/m0/s1
InChIKeyANFGKLRTSDPVDP-NRFANRHFSA-N
MW415.50 g/mol
LogP4.18
Rot. Bonds5

About [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone

[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone (PubChem CID 95807248) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone
PubChem CID95807248
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone
SMILESCOc1ccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)cc1Cn1cccn1
InChIInChI=1S/C24H25N5O2/c1-31-22-11-10-17(15-18(22)16-28-13-6-12-25-28)24(30)29-14-5-4-9-21(29)23-26-19-7-2-3-8-20(19)27-23/h2-3,6-8,10-13,15,21H,4-5,9,14,16H2,1H3,(H,26,27)/t21-/m0/s1
InChIKeyANFGKLRTSDPVDP-NRFANRHFSA-N
XLogP4.18
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 46952277
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 25388924
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
CID 55453365
2-[1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214796
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-ethoxy-3-nitrophenyl)methanone
CID 25388757
[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 97149553
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone
CID 97220495
4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 25346217
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone
CID 40920690
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-tert-butylphenyl)methanone
CID 25388696
2-(1H-benzimidazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-1-carboxamide
CID 121239371
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 51269941

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone?
The IUPAC name of [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone (CID 95807248) is [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone is COc1ccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)cc1Cn1cccn1.
What is the InChIKey of [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone?
The InChIKey is ANFGKLRTSDPVDP-NRFANRHFSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-31-22-11-10-17(15-18(22)16-28-13-6-12-25-28)24(30)29-14-5-4-9-21(29)23-26-19-7-2-3-8-20(19)27-23/h2-3,6-8,10-13,15,21H,4-5,9,14,16H2,1H3,(H,26,27)/t21-/m0/s1.
What are the key properties of [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone?
[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone has a molecular weight of 415.50 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 95807248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).