3-(2-methyl-1H-imidazol-5-yl)propan-1-ol

C7H12N2O — CID 19766423

IUPAC3-(2-methyl-1H-imidazol-5-yl)propan-1-ol
SMILESCc1ncc(CCCO)[nH]1
InChIInChI=1S/C7H12N2O/c1-6-8-5-7(9-6)3-2-4-10/h5,10H,2-4H2,1H3,(H,8,9)
InChIKeyCLDMODDRMBTUOM-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.64
Rot. Bonds3

About 3-(2-methyl-1H-imidazol-5-yl)propan-1-ol

3-(2-methyl-1H-imidazol-5-yl)propan-1-ol (PubChem CID 19766423) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-(2-methyl-1H-imidazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2-methyl-1H-imidazol-5-yl)propan-1-ol
PubChem CID19766423
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3-(2-methyl-1H-imidazol-5-yl)propan-1-ol
SMILESCc1ncc(CCCO)[nH]1
InChIInChI=1S/C7H12N2O/c1-6-8-5-7(9-6)3-2-4-10/h5,10H,2-4H2,1H3,(H,8,9)
InChIKeyCLDMODDRMBTUOM-UHFFFAOYSA-N
XLogP0.64
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1H-imidazol-5-yl)propan-1-ol?
The IUPAC name of 3-(2-methyl-1H-imidazol-5-yl)propan-1-ol (CID 19766423) is 3-(2-methyl-1H-imidazol-5-yl)propan-1-ol.
What is the SMILES notation for 3-(2-methyl-1H-imidazol-5-yl)propan-1-ol?
The canonical SMILES for 3-(2-methyl-1H-imidazol-5-yl)propan-1-ol is Cc1ncc(CCCO)[nH]1.
What is the InChIKey of 3-(2-methyl-1H-imidazol-5-yl)propan-1-ol?
The InChIKey is CLDMODDRMBTUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-6-8-5-7(9-6)3-2-4-10/h5,10H,2-4H2,1H3,(H,8,9).
What are the key properties of 3-(2-methyl-1H-imidazol-5-yl)propan-1-ol?
3-(2-methyl-1H-imidazol-5-yl)propan-1-ol has a molecular weight of 140.19 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1H-imidazol-5-yl)propan-1-ol is sourced from PubChem (CID 19766423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).