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

C23H23N5O2 — CID 46952277

IUPAC[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone
SMILESCOc1ccc(C(=O)N2CCCC2c2nc3ccccc3[nH]2)cc1Cn1cccn1
InChIInChI=1S/C23H23N5O2/c1-30-21-10-9-16(14-17(21)15-27-12-5-11-24-27)23(29)28-13-4-8-20(28)22-25-18-6-2-3-7-19(18)26-22/h2-3,5-7,9-12,14,20H,4,8,13,15H2,1H3,(H,25,26)
InChIKeyAIUWYCBKCGJRAL-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.79
Rot. Bonds5

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

[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone (PubChem CID 46952277) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone
PubChem CID46952277
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone
SMILESCOc1ccc(C(=O)N2CCCC2c2nc3ccccc3[nH]2)cc1Cn1cccn1
InChIInChI=1S/C23H23N5O2/c1-30-21-10-9-16(14-17(21)15-27-12-5-11-24-27)23(29)28-13-4-8-20(28)22-25-18-6-2-3-7-19(18)26-22/h2-3,5-7,9-12,14,20H,4,8,13,15H2,1H3,(H,25,26)
InChIKeyAIUWYCBKCGJRAL-UHFFFAOYSA-N
XLogP3.79
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 95807248
[(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)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)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 51269941
[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 51488623
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 51331975

Frequently Asked Questions

What is the IUPAC name of [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone?
The IUPAC name of [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone (CID 46952277) is [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone is COc1ccc(C(=O)N2CCCC2c2nc3ccccc3[nH]2)cc1Cn1cccn1.
What is the InChIKey of [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone?
The InChIKey is AIUWYCBKCGJRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-30-21-10-9-16(14-17(21)15-27-12-5-11-24-27)23(29)28-13-4-8-20(28)22-25-18-6-2-3-7-19(18)26-22/h2-3,5-7,9-12,14,20H,4,8,13,15H2,1H3,(H,25,26).
What are the key properties of [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone?
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone has a molecular weight of 401.47 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 46952277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).