(1-butylimidazol-2-yl)-(4-chlorophenyl)-phenylmethanol

C20H21ClN2O — CID 102490467

IUPAC(1-butylimidazol-2-yl)-(4-chlorophenyl)-phenylmethanol
SMILESCCCCn1ccnc1C(O)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O/c1-2-3-14-23-15-13-22-19(23)20(24,16-7-5-4-6-8-16)17-9-11-18(21)12-10-17/h4-13,15,24H,2-3,14H2,1H3
InChIKeyNJOAPPQASHYKCK-UHFFFAOYSA-N
MW340.85 g/mol
LogP4.62
Rot. Bonds6

About (1-butylimidazol-2-yl)-(4-chlorophenyl)-phenylmethanol

(1-butylimidazol-2-yl)-(4-chlorophenyl)-phenylmethanol (PubChem CID 102490467) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is (1-butylimidazol-2-yl)-(4-chlorophenyl)-phenylmethanol.

Molecular Properties

Compound Name(1-butylimidazol-2-yl)-(4-chlorophenyl)-phenylmethanol
PubChem CID102490467
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC Name(1-butylimidazol-2-yl)-(4-chlorophenyl)-phenylmethanol
SMILESCCCCn1ccnc1C(O)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O/c1-2-3-14-23-15-13-22-19(23)20(24,16-7-5-4-6-8-16)17-9-11-18(21)12-10-17/h4-13,15,24H,2-3,14H2,1H3
InChIKeyNJOAPPQASHYKCK-UHFFFAOYSA-N
XLogP4.62
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(+-)-alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol
CID 32238
(1-Methylimidazol-2-yl)-diphenylmethanol
CID 3113722
Bis(1-methylimidazol-2-yl)-phenylmethanol
CID 2849523
Bis-(4-chloro-phenyl)-(1H-imidazol-2-yl)-methanol
CID 12433870
Denzimol hydrochloride
CID 53625
(1-methyl-1H-imidazol-2-yl)(phenyl)methanol
CID 2859379
1-(4-chlorophenyl)-2-(2-methyl-4-nitro-1H-imidazol-1-yl)ethan-1-ol
CID 2728518
(1-ethyl-1H-imidazol-2-yl)(naphthalen-1-yl)methanol
CID 3131356
(5-chloro-1-methyl-1H-imidazol-2-yl)(diphenyl)methanol
CID 3795291
1-(4-methylphenyl)-1-phenyl-2-[1-(1-propenyl)-1H-imidazol-2-yl]ethanol
CID 6270550
(5-chloro-1-methyl-1H-imidazol-2-yl)(phenyl)methanol
CID 650470
(1-benzyl-1H-imidazol-2-yl)(phenyl)methanol
CID 2870369

Frequently Asked Questions

What is the IUPAC name of (1-butylimidazol-2-yl)-(4-chlorophenyl)-phenylmethanol?
The IUPAC name of (1-butylimidazol-2-yl)-(4-chlorophenyl)-phenylmethanol (CID 102490467) is (1-butylimidazol-2-yl)-(4-chlorophenyl)-phenylmethanol.
What is the SMILES notation for (1-butylimidazol-2-yl)-(4-chlorophenyl)-phenylmethanol?
The canonical SMILES for (1-butylimidazol-2-yl)-(4-chlorophenyl)-phenylmethanol is CCCCn1ccnc1C(O)(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (1-butylimidazol-2-yl)-(4-chlorophenyl)-phenylmethanol?
The InChIKey is NJOAPPQASHYKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O/c1-2-3-14-23-15-13-22-19(23)20(24,16-7-5-4-6-8-16)17-9-11-18(21)12-10-17/h4-13,15,24H,2-3,14H2,1H3.
What are the key properties of (1-butylimidazol-2-yl)-(4-chlorophenyl)-phenylmethanol?
(1-butylimidazol-2-yl)-(4-chlorophenyl)-phenylmethanol has a molecular weight of 340.85 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylimidazol-2-yl)-(4-chlorophenyl)-phenylmethanol is sourced from PubChem (CID 102490467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).