(3-cyclopropylimidazol-4-yl)-(1-propylimidazol-2-yl)methanol

C13H18N4O — CID 66140856

IUPAC(3-cyclopropylimidazol-4-yl)-(1-propylimidazol-2-yl)methanol
SMILESCCCn1ccnc1C(O)c1cncn1C1CC1
InChIInChI=1S/C13H18N4O/c1-2-6-16-7-5-15-13(16)12(18)11-8-14-9-17(11)10-3-4-10/h5,7-10,12,18H,2-4,6H2,1H3
InChIKeyFHCGOGXIOLBFDF-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.91
Rot. Bonds5

About (3-cyclopropylimidazol-4-yl)-(1-propylimidazol-2-yl)methanol

(3-cyclopropylimidazol-4-yl)-(1-propylimidazol-2-yl)methanol (PubChem CID 66140856) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is (3-cyclopropylimidazol-4-yl)-(1-propylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(3-cyclopropylimidazol-4-yl)-(1-propylimidazol-2-yl)methanol
PubChem CID66140856
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name(3-cyclopropylimidazol-4-yl)-(1-propylimidazol-2-yl)methanol
SMILESCCCn1ccnc1C(O)c1cncn1C1CC1
InChIInChI=1S/C13H18N4O/c1-2-6-16-7-5-15-13(16)12(18)11-8-14-9-17(11)10-3-4-10/h5,7-10,12,18H,2-4,6H2,1H3
InChIKeyFHCGOGXIOLBFDF-UHFFFAOYSA-N
XLogP1.91
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methylimidazol-4-yl)-(1-propylimidazol-2-yl)methanol
CID 66117982
1-(3-cyclopropylimidazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanol
CID 79744805
2-cyclopentyl-1-(3-propylimidazol-4-yl)ethanol
CID 66129443
(4-ethylcyclohexyl)-(1-propylimidazol-2-yl)methanol
CID 65393927
(1-propylimidazol-2-yl)-pyridin-3-ylmethanol
CID 61315543
3-cyclopropyl-1-(3-propylimidazol-4-yl)propan-1-ol
CID 106590500
1-(3-cyclopropylimidazol-4-yl)-3-methylbutan-1-ol
CID 66141454
1-(3-cyclopropylimidazol-4-yl)-2-ethoxyethanol
CID 79567273
(1-propylimidazol-2-yl)-(1H-pyrazol-4-yl)methanol
CID 63080686
3-amino-1-(3-cyclopropylimidazol-4-yl)-2,2-dimethylpropan-1-ol
CID 79126294
3-bicyclo[3.1.0]hexanyl-(1-propylimidazol-2-yl)methanol
CID 115799261
(3,5-dimethyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanol
CID 113365536

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropylimidazol-4-yl)-(1-propylimidazol-2-yl)methanol?
The IUPAC name of (3-cyclopropylimidazol-4-yl)-(1-propylimidazol-2-yl)methanol (CID 66140856) is (3-cyclopropylimidazol-4-yl)-(1-propylimidazol-2-yl)methanol.
What is the SMILES notation for (3-cyclopropylimidazol-4-yl)-(1-propylimidazol-2-yl)methanol?
The canonical SMILES for (3-cyclopropylimidazol-4-yl)-(1-propylimidazol-2-yl)methanol is CCCn1ccnc1C(O)c1cncn1C1CC1.
What is the InChIKey of (3-cyclopropylimidazol-4-yl)-(1-propylimidazol-2-yl)methanol?
The InChIKey is FHCGOGXIOLBFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-6-16-7-5-15-13(16)12(18)11-8-14-9-17(11)10-3-4-10/h5,7-10,12,18H,2-4,6H2,1H3.
What are the key properties of (3-cyclopropylimidazol-4-yl)-(1-propylimidazol-2-yl)methanol?
(3-cyclopropylimidazol-4-yl)-(1-propylimidazol-2-yl)methanol has a molecular weight of 246.31 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropylimidazol-4-yl)-(1-propylimidazol-2-yl)methanol is sourced from PubChem (CID 66140856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).