(2-chloro-5-methyl-3-phenylmethoxyimidazol-4-yl)methanol

C12H13ClN2O2 — CID 10999557

IUPAC(2-chloro-5-methyl-3-phenylmethoxyimidazol-4-yl)methanol
SMILESCc1nc(Cl)n(OCc2ccccc2)c1CO
InChIInChI=1S/C12H13ClN2O2/c1-9-11(7-16)15(12(13)14-9)17-8-10-5-3-2-4-6-10/h2-6,16H,7-8H2,1H3
InChIKeyMVIPVDVWICSDFG-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.97
Rot. Bonds4

About (2-chloro-5-methyl-3-phenylmethoxyimidazol-4-yl)methanol

(2-chloro-5-methyl-3-phenylmethoxyimidazol-4-yl)methanol (PubChem CID 10999557) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is (2-chloro-5-methyl-3-phenylmethoxyimidazol-4-yl)methanol.

Molecular Properties

Compound Name(2-chloro-5-methyl-3-phenylmethoxyimidazol-4-yl)methanol
PubChem CID10999557
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name(2-chloro-5-methyl-3-phenylmethoxyimidazol-4-yl)methanol
SMILESCc1nc(Cl)n(OCc2ccccc2)c1CO
InChIInChI=1S/C12H13ClN2O2/c1-9-11(7-16)15(12(13)14-9)17-8-10-5-3-2-4-6-10/h2-6,16H,7-8H2,1H3
InChIKeyMVIPVDVWICSDFG-UHFFFAOYSA-N
XLogP1.97
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-1-phenylmethoxypyrazol-5-yl)methanol
CID 10965992
2-chloro-4-methyl-1-phenylmethoxyimidazole
CID 10867903
2,5-dichloro-1-phenylmethoxyimidazole-4-carboxylic acid
CID 11833029
[3-benzyl-5-chloro-2-(4-methylphenyl)imidazol-4-yl]methanol
CID 15099345
dichloromethane;phenylmethoxymethylbenzene
CID 174530379
[6-methyl-2-(2-phenylethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219738
3,5-dimethyl-1-phenylmethoxypyrazole-4-carboxylic acid;ethane
CID 143284338
[4-(hydroxymethyl)-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol
CID 820399
2-(2-chloro-3-phenylmethoxyimidazol-4-yl)acetonitrile
CID 91623201
3-chloro-6-methyl-4-phenylmethoxy-1,2,4-oxadiazine
CID 174888088
4-(2-methyl-6-phenylmethoxy-3-pyridinyl)phenol
CID 170262262
bis(1-benzyl-4,5-dimethyl-3-phenylmethoxy-2H-imidazol-2-ide);silver
CID 20806997

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-methyl-3-phenylmethoxyimidazol-4-yl)methanol?
The IUPAC name of (2-chloro-5-methyl-3-phenylmethoxyimidazol-4-yl)methanol (CID 10999557) is (2-chloro-5-methyl-3-phenylmethoxyimidazol-4-yl)methanol.
What is the SMILES notation for (2-chloro-5-methyl-3-phenylmethoxyimidazol-4-yl)methanol?
The canonical SMILES for (2-chloro-5-methyl-3-phenylmethoxyimidazol-4-yl)methanol is Cc1nc(Cl)n(OCc2ccccc2)c1CO.
What is the InChIKey of (2-chloro-5-methyl-3-phenylmethoxyimidazol-4-yl)methanol?
The InChIKey is MVIPVDVWICSDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-9-11(7-16)15(12(13)14-9)17-8-10-5-3-2-4-6-10/h2-6,16H,7-8H2,1H3.
What are the key properties of (2-chloro-5-methyl-3-phenylmethoxyimidazol-4-yl)methanol?
(2-chloro-5-methyl-3-phenylmethoxyimidazol-4-yl)methanol has a molecular weight of 252.70 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-methyl-3-phenylmethoxyimidazol-4-yl)methanol is sourced from PubChem (CID 10999557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).