2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol

C10H16N2O — CID 130509808

IUPAC2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol
SMILESCC(C1CC1)C(O)c1cn(C)cn1
InChIInChI=1S/C10H16N2O/c1-7(8-3-4-8)10(13)9-5-12(2)6-11-9/h5-8,10,13H,3-4H2,1-2H3
InChIKeyYUWMPGJZBFWTCT-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.50
Rot. Bonds3

About 2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol

2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol (PubChem CID 130509808) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol
PubChem CID130509808
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol
SMILESCC(C1CC1)C(O)c1cn(C)cn1
InChIInChI=1S/C10H16N2O/c1-7(8-3-4-8)10(13)9-5-12(2)6-11-9/h5-8,10,13H,3-4H2,1-2H3
InChIKeyYUWMPGJZBFWTCT-UHFFFAOYSA-N
XLogP1.50
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylimidazol-4-yl)propane-1,2-diol
CID 130508965
2-amino-1-(1-methylimidazol-4-yl)propan-1-ol
CID 130598579
cyclopentyl-(1-methylimidazol-4-yl)methanamine
CID 107973442
(1-methylimidazol-4-yl)-(propan-2-ylamino)methanol
CID 129044247
2-amino-2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol
CID 164650188
4-methoxy-2-methyl-1-(1-methylimidazol-4-yl)butan-1-ol
CID 107978695
4-chloro-1-(1-methylimidazol-4-yl)butane-1,2-diol
CID 171894848
2-amino-3-hydroxy-3-(1-methylimidazol-4-yl)propanoic acid
CID 130598586
(1S)-1-(1-methylimidazol-4-yl)ethanamine
CID 96637865
(1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol
CID 118967253
(1R)-1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride
CID 162341661
(1R)-2,2,2-trifluoro-1-(1-methylimidazol-4-yl)ethanol
CID 130508957

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol?
The IUPAC name of 2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol (CID 130509808) is 2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol is CC(C1CC1)C(O)c1cn(C)cn1.
What is the InChIKey of 2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol?
The InChIKey is YUWMPGJZBFWTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(8-3-4-8)10(13)9-5-12(2)6-11-9/h5-8,10,13H,3-4H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol?
2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol is sourced from PubChem (CID 130509808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).