2-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol

C14H17ClN2O — CID 114528995

IUPAC2-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol
SMILESCn1ccnc1CCC(C)(O)c1cccc(Cl)c1
InChIInChI=1S/C14H17ClN2O/c1-14(18,11-4-3-5-12(15)10-11)7-6-13-16-8-9-17(13)2/h3-5,8-10,18H,6-7H2,1-2H3
InChIKeySQTWHDPQMJECBP-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.91
Rot. Bonds4

About 2-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol

2-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol (PubChem CID 114528995) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol
PubChem CID114528995
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name2-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol
SMILESCn1ccnc1CCC(C)(O)c1cccc(Cl)c1
InChIInChI=1S/C14H17ClN2O/c1-14(18,11-4-3-5-12(15)10-11)7-6-13-16-8-9-17(13)2/h3-5,8-10,18H,6-7H2,1-2H3
InChIKeySQTWHDPQMJECBP-UHFFFAOYSA-N
XLogP2.91
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-chloro-3-(chloromethyl)-3-(3-chlorophenyl)butyl]-1-methylimidazole
CID 114532828
2-(3-chlorophenyl)-1-(1-methylimidazol-2-yl)propan-2-amine
CID 79745086
(2R)-2-(3-chlorophenyl)pentan-2-ol
CID 93299128
2-(3-chlorophenyl)-4,4-dimethylpentan-2-ol
CID 10585384
2-(3-chlorophenyl)hex-5-yn-2-ol
CID 63656673
3-methyl-1-(1-methylimidazol-2-yl)-3-phenylbutan-2-ol
CID 79751999
2-[3-(chloromethyl)-3-methylhexyl]-1-methylimidazole
CID 114532702
1-(3-chlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 56828209
2-(3-chlorophenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 62772834
5-chloro-2-iodo-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 113228022
[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol
CID 114528338
2-[3,3-bis(chloromethyl)pentyl]-1-methylimidazole
CID 114532819

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol?
The IUPAC name of 2-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol (CID 114528995) is 2-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol.
What is the SMILES notation for 2-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol?
The canonical SMILES for 2-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol is Cn1ccnc1CCC(C)(O)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol?
The InChIKey is SQTWHDPQMJECBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-14(18,11-4-3-5-12(15)10-11)7-6-13-16-8-9-17(13)2/h3-5,8-10,18H,6-7H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol?
2-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol has a molecular weight of 264.76 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol is sourced from PubChem (CID 114528995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).