1-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]benzimidazol-2-yl]amino]propan-2-ol

C19H25N5O — CID 71968759

IUPAC1-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]benzimidazol-2-yl]amino]propan-2-ol
SMILESCC(O)CNc1nc2ccccc2n1Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C19H25N5O/c1-14(25)12-20-19-21-17-8-4-5-9-18(17)23(19)13-15-10-11-24(22-15)16-6-2-3-7-16/h4-5,8-11,14,16,25H,2-3,6-7,12-13H2,1H3,(H,20,21)
InChIKeyFOHYZESPJRNXQL-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.19
Rot. Bonds6

About 1-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]benzimidazol-2-yl]amino]propan-2-ol

1-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]benzimidazol-2-yl]amino]propan-2-ol (PubChem CID 71968759) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]benzimidazol-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]benzimidazol-2-yl]amino]propan-2-ol
PubChem CID71968759
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]benzimidazol-2-yl]amino]propan-2-ol
SMILESCC(O)CNc1nc2ccccc2n1Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C19H25N5O/c1-14(25)12-20-19-21-17-8-4-5-9-18(17)23(19)13-15-10-11-24(22-15)16-6-2-3-7-16/h4-5,8-11,14,16,25H,2-3,6-7,12-13H2,1H3,(H,20,21)
InChIKeyFOHYZESPJRNXQL-UHFFFAOYSA-N
XLogP3.19
TPSA67.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]benzimidazol-2-yl]amino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]benzimidazol-2-yl]amino]propan-2-ol?
The IUPAC name of 1-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]benzimidazol-2-yl]amino]propan-2-ol (CID 71968759) is 1-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]benzimidazol-2-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]benzimidazol-2-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]benzimidazol-2-yl]amino]propan-2-ol is CC(O)CNc1nc2ccccc2n1Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 1-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]benzimidazol-2-yl]amino]propan-2-ol?
The InChIKey is FOHYZESPJRNXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14(25)12-20-19-21-17-8-4-5-9-18(17)23(19)13-15-10-11-24(22-15)16-6-2-3-7-16/h4-5,8-11,14,16,25H,2-3,6-7,12-13H2,1H3,(H,20,21).
What are the key properties of 1-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]benzimidazol-2-yl]amino]propan-2-ol?
1-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]benzimidazol-2-yl]amino]propan-2-ol has a molecular weight of 339.44 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]benzimidazol-2-yl]amino]propan-2-ol is sourced from PubChem (CID 71968759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).