[3-[(2-methylcyclopentyl)methyl]imidazol-4-yl]methanol

C11H18N2O — CID 107421082

IUPAC[3-[(2-methylcyclopentyl)methyl]imidazol-4-yl]methanol
SMILESCC1CCCC1Cn1cncc1CO
InChIInChI=1S/C11H18N2O/c1-9-3-2-4-10(9)6-13-8-12-5-11(13)7-14/h5,8-10,14H,2-4,6-7H2,1H3
InChIKeyVNOLOGQIWTXUQH-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.81
Rot. Bonds3

About [3-[(2-methylcyclopentyl)methyl]imidazol-4-yl]methanol

[3-[(2-methylcyclopentyl)methyl]imidazol-4-yl]methanol (PubChem CID 107421082) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is [3-[(2-methylcyclopentyl)methyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-[(2-methylcyclopentyl)methyl]imidazol-4-yl]methanol
PubChem CID107421082
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name[3-[(2-methylcyclopentyl)methyl]imidazol-4-yl]methanol
SMILESCC1CCCC1Cn1cncc1CO
InChIInChI=1S/C11H18N2O/c1-9-3-2-4-10(9)6-13-8-12-5-11(13)7-14/h5,8-10,14H,2-4,6-7H2,1H3
InChIKeyVNOLOGQIWTXUQH-UHFFFAOYSA-N
XLogP1.81
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-methylcyclopentyl)methyl]imidazol-4-yl]methanol?
The IUPAC name of [3-[(2-methylcyclopentyl)methyl]imidazol-4-yl]methanol (CID 107421082) is [3-[(2-methylcyclopentyl)methyl]imidazol-4-yl]methanol.
What is the SMILES notation for [3-[(2-methylcyclopentyl)methyl]imidazol-4-yl]methanol?
The canonical SMILES for [3-[(2-methylcyclopentyl)methyl]imidazol-4-yl]methanol is CC1CCCC1Cn1cncc1CO.
What is the InChIKey of [3-[(2-methylcyclopentyl)methyl]imidazol-4-yl]methanol?
The InChIKey is VNOLOGQIWTXUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9-3-2-4-10(9)6-13-8-12-5-11(13)7-14/h5,8-10,14H,2-4,6-7H2,1H3.
What are the key properties of [3-[(2-methylcyclopentyl)methyl]imidazol-4-yl]methanol?
[3-[(2-methylcyclopentyl)methyl]imidazol-4-yl]methanol has a molecular weight of 194.28 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methylcyclopentyl)methyl]imidazol-4-yl]methanol is sourced from PubChem (CID 107421082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).