(3-chloro-4-iodophenyl)-(1-propylimidazol-2-yl)methanol

C13H14ClIN2O — CID 103216817

IUPAC(3-chloro-4-iodophenyl)-(1-propylimidazol-2-yl)methanol
SMILESCCCn1ccnc1C(O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H14ClIN2O/c1-2-6-17-7-5-16-13(17)12(18)9-3-4-11(15)10(14)8-9/h3-5,7-8,12,18H,2,6H2,1H3
InChIKeyYXWFBKDJYTZRPP-UHFFFAOYSA-N
MW376.63 g/mol
LogP3.63
Rot. Bonds4

About (3-chloro-4-iodophenyl)-(1-propylimidazol-2-yl)methanol

(3-chloro-4-iodophenyl)-(1-propylimidazol-2-yl)methanol (PubChem CID 103216817) has the molecular formula C13H14ClIN2O and a molecular weight of 376.63 g/mol. Its IUPAC name is (3-chloro-4-iodophenyl)-(1-propylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(3-chloro-4-iodophenyl)-(1-propylimidazol-2-yl)methanol
PubChem CID103216817
Molecular FormulaC13H14ClIN2O
Molecular Weight376.63 g/mol
Exact Mass375.98
IUPAC Name(3-chloro-4-iodophenyl)-(1-propylimidazol-2-yl)methanol
SMILESCCCn1ccnc1C(O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H14ClIN2O/c1-2-6-17-7-5-16-13(17)12(18)9-3-4-11(15)10(14)8-9/h3-5,7-8,12,18H,2,6H2,1H3
InChIKeyYXWFBKDJYTZRPP-UHFFFAOYSA-N
XLogP3.63
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.63
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chloro-4-iodophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 103215312
1-(3-chloro-4-iodophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 103216978
(3-methoxyphenyl)-(1-propylimidazol-2-yl)methanol
CID 61317073
(5-methylfuran-3-yl)-(1-propylimidazol-2-yl)methanol
CID 114822737
(4-bromo-3,5-dimethylphenyl)-(1-propylimidazol-2-yl)methanol
CID 114329829
(1-propylimidazol-2-yl)-pyridin-3-ylmethanol
CID 61315543
(1-propylimidazol-2-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
CID 63976478
(2-bromo-5-chlorophenyl)-(1-propylimidazol-2-yl)methanol
CID 66156091
(1-ethylimidazol-2-yl)-(3-iodophenyl)methanol
CID 61315347
(1-propylimidazol-2-yl)-(1H-pyrazol-4-yl)methanol
CID 63080686
(3-chloro-4-iodophenyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanol
CID 112744845
(3,4-difluorophenyl)-(1-ethylimidazol-2-yl)methanol
CID 61314221

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-iodophenyl)-(1-propylimidazol-2-yl)methanol?
The IUPAC name of (3-chloro-4-iodophenyl)-(1-propylimidazol-2-yl)methanol (CID 103216817) is (3-chloro-4-iodophenyl)-(1-propylimidazol-2-yl)methanol.
What is the SMILES notation for (3-chloro-4-iodophenyl)-(1-propylimidazol-2-yl)methanol?
The canonical SMILES for (3-chloro-4-iodophenyl)-(1-propylimidazol-2-yl)methanol is CCCn1ccnc1C(O)c1ccc(I)c(Cl)c1.
What is the InChIKey of (3-chloro-4-iodophenyl)-(1-propylimidazol-2-yl)methanol?
The InChIKey is YXWFBKDJYTZRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClIN2O/c1-2-6-17-7-5-16-13(17)12(18)9-3-4-11(15)10(14)8-9/h3-5,7-8,12,18H,2,6H2,1H3.
What are the key properties of (3-chloro-4-iodophenyl)-(1-propylimidazol-2-yl)methanol?
(3-chloro-4-iodophenyl)-(1-propylimidazol-2-yl)methanol has a molecular weight of 376.63 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-iodophenyl)-(1-propylimidazol-2-yl)methanol is sourced from PubChem (CID 103216817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).