1-(3-cyclopropylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol

C13H20N2O2 — CID 66139463

IUPAC1-(3-cyclopropylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol
SMILESOC(CCC1CCCO1)c1cncn1C1CC1
InChIInChI=1S/C13H20N2O2/c16-13(6-5-11-2-1-7-17-11)12-8-14-9-15(12)10-3-4-10/h8-11,13,16H,1-7H2
InChIKeyLQXNIDCEEWTCSF-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.21
Rot. Bonds5

About 1-(3-cyclopropylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol

1-(3-cyclopropylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol (PubChem CID 66139463) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(3-cyclopropylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3-cyclopropylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol
PubChem CID66139463
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(3-cyclopropylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol
SMILESOC(CCC1CCCO1)c1cncn1C1CC1
InChIInChI=1S/C13H20N2O2/c16-13(6-5-11-2-1-7-17-11)12-8-14-9-15(12)10-3-4-10/h8-11,13,16H,1-7H2
InChIKeyLQXNIDCEEWTCSF-UHFFFAOYSA-N
XLogP2.21
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyclopropylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol
CID 66142466
1-(3-cyclopropylimidazol-4-yl)-3-methylbutan-1-ol
CID 66141454
1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 82903491
3-(oxan-2-yl)-1-pyrazin-2-ylpropan-1-ol
CID 115800210
5-[1-hydroxy-3-(oxolan-2-yl)propyl]furan-2-carboxylic acid
CID 106947334
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 66162475
1-[3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]ethanamine
CID 114705093
1-(3-methylimidazol-4-yl)-4-(oxolan-2-yl)butan-1-amine
CID 82895309
1-(4-chloro-1-methylpyrazol-5-yl)-3-(oxolan-2-yl)propan-1-ol
CID 115836748
1-(6-methyl-3-pyridinyl)-3-(oxolan-2-yl)propan-1-ol
CID 104822985
1-(3-methoxy-4-pyridinyl)-3-(oxolan-2-yl)propan-1-ol
CID 105066320
3-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 65160613

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol?
The IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol (CID 66139463) is 1-(3-cyclopropylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol.
What is the SMILES notation for 1-(3-cyclopropylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol?
The canonical SMILES for 1-(3-cyclopropylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol is OC(CCC1CCCO1)c1cncn1C1CC1.
What is the InChIKey of 1-(3-cyclopropylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol?
The InChIKey is LQXNIDCEEWTCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-13(6-5-11-2-1-7-17-11)12-8-14-9-15(12)10-3-4-10/h8-11,13,16H,1-7H2.
What are the key properties of 1-(3-cyclopropylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol?
1-(3-cyclopropylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol has a molecular weight of 236.31 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol is sourced from PubChem (CID 66139463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).