3-[2-(methylamino)benzimidazol-1-yl]propan-1-ol

C11H15N3O — CID 82359483

IUPAC3-[2-(methylamino)benzimidazol-1-yl]propan-1-ol
SMILESCNc1nc2ccccc2n1CCCO
InChIInChI=1S/C11H15N3O/c1-12-11-13-9-5-2-3-6-10(9)14(11)7-4-8-15/h2-3,5-6,15H,4,7-8H2,1H3,(H,12,13)
InChIKeyLQIPMJKQLLPSKK-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.46
Rot. Bonds4

About 3-[2-(methylamino)benzimidazol-1-yl]propan-1-ol

3-[2-(methylamino)benzimidazol-1-yl]propan-1-ol (PubChem CID 82359483) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-[2-(methylamino)benzimidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(methylamino)benzimidazol-1-yl]propan-1-ol
PubChem CID82359483
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-[2-(methylamino)benzimidazol-1-yl]propan-1-ol
SMILESCNc1nc2ccccc2n1CCCO
InChIInChI=1S/C11H15N3O/c1-12-11-13-9-5-2-3-6-10(9)14(11)7-4-8-15/h2-3,5-6,15H,4,7-8H2,1H3,(H,12,13)
InChIKeyLQIPMJKQLLPSKK-UHFFFAOYSA-N
XLogP1.46
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylamino)benzimidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[2-(methylamino)benzimidazol-1-yl]propan-1-ol (CID 82359483) is 3-[2-(methylamino)benzimidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[2-(methylamino)benzimidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[2-(methylamino)benzimidazol-1-yl]propan-1-ol is CNc1nc2ccccc2n1CCCO.
What is the InChIKey of 3-[2-(methylamino)benzimidazol-1-yl]propan-1-ol?
The InChIKey is LQIPMJKQLLPSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-12-11-13-9-5-2-3-6-10(9)14(11)7-4-8-15/h2-3,5-6,15H,4,7-8H2,1H3,(H,12,13).
What are the key properties of 3-[2-(methylamino)benzimidazol-1-yl]propan-1-ol?
3-[2-(methylamino)benzimidazol-1-yl]propan-1-ol has a molecular weight of 205.26 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)benzimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 82359483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).