3H-benzimidazol-5-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone

C15H15N5O — CID 126946356

IUPAC3H-benzimidazol-5-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCC(n2cccn2)C1
InChIInChI=1S/C15H15N5O/c21-15(11-2-3-13-14(8-11)17-10-16-13)19-7-4-12(9-19)20-6-1-5-18-20/h1-3,5-6,8,10,12H,4,7,9H2,(H,16,17)
InChIKeyOFJMHBZMPXGLPR-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.85
Rot. Bonds2

About 3H-benzimidazol-5-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone

3H-benzimidazol-5-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone (PubChem CID 126946356) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
PubChem CID126946356
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name3H-benzimidazol-5-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCC(n2cccn2)C1
InChIInChI=1S/C15H15N5O/c21-15(11-2-3-13-14(8-11)17-10-16-13)19-7-4-12(9-19)20-6-1-5-18-20/h1-3,5-6,8,10,12H,4,7,9H2,(H,16,17)
InChIKeyOFJMHBZMPXGLPR-UHFFFAOYSA-N
XLogP1.85
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3H-benzimidazol-5-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150916
1-(3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63007156
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(3H-benzimidazol-5-yl)methanone
CID 60960326
(3-aminopiperidin-1-yl)-(3H-benzimidazol-5-yl)methanone
CID 61296468
5-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 95282709
1H-imidazol-5-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
CID 126946369
3H-benzimidazol-5-yl-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 124968805
3H-benzimidazol-5-yl-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90586479
3H-benzimidazol-5-yl-(3,4-dimethylpiperazin-1-yl)methanone
CID 63605111
3H-benzimidazol-5-yl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 110745920
3H-benzimidazol-5-yl-(2-methylthiomorpholin-4-yl)methanone
CID 115612080
[4-(oxan-4-yloxy)phenyl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
CID 136543985

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of 3H-benzimidazol-5-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone (CID 126946356) is 3H-benzimidazol-5-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone is O=C(c1ccc2nc[nH]c2c1)N1CCC(n2cccn2)C1.
What is the InChIKey of 3H-benzimidazol-5-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is OFJMHBZMPXGLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c21-15(11-2-3-13-14(8-11)17-10-16-13)19-7-4-12(9-19)20-6-1-5-18-20/h1-3,5-6,8,10,12H,4,7,9H2,(H,16,17).
What are the key properties of 3H-benzimidazol-5-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone?
3H-benzimidazol-5-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 281.32 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 126946356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).