[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]methanol

C11H18N2O — CID 66152064

IUPAC[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]methanol
SMILESCCC(CC1CC1)n1cncc1CO
InChIInChI=1S/C11H18N2O/c1-2-10(5-9-3-4-9)13-8-12-6-11(13)7-14/h6,8-10,14H,2-5,7H2,1H3
InChIKeyNAABSUWLQVLCDO-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.13
Rot. Bonds5

About [3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]methanol

[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]methanol (PubChem CID 66152064) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is [3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]methanol
PubChem CID66152064
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]methanol
SMILESCCC(CC1CC1)n1cncc1CO
InChIInChI=1S/C11H18N2O/c1-2-10(5-9-3-4-9)13-8-12-6-11(13)7-14/h6,8-10,14H,2-5,7H2,1H3
InChIKeyNAABSUWLQVLCDO-UHFFFAOYSA-N
XLogP2.13
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]methanol?
The IUPAC name of [3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]methanol (CID 66152064) is [3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]methanol.
What is the SMILES notation for [3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]methanol?
The canonical SMILES for [3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]methanol is CCC(CC1CC1)n1cncc1CO.
What is the InChIKey of [3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]methanol?
The InChIKey is NAABSUWLQVLCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-10(5-9-3-4-9)13-8-12-6-11(13)7-14/h6,8-10,14H,2-5,7H2,1H3.
What are the key properties of [3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]methanol?
[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]methanol has a molecular weight of 194.28 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]methanol is sourced from PubChem (CID 66152064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).