1-[(4-chloro-2-methoxyphenyl)methyl]imidazole

C11H11ClN2O — CID 69219836

IUPAC1-[(4-chloro-2-methoxyphenyl)methyl]imidazole
SMILESCOc1cc(Cl)ccc1Cn1ccnc1
InChIInChI=1S/C11H11ClN2O/c1-15-11-6-10(12)3-2-9(11)7-14-5-4-13-8-14/h2-6,8H,7H2,1H3
InChIKeyVQVAKQOXNVONIU-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.59
Rot. Bonds3

About 1-[(4-chloro-2-methoxyphenyl)methyl]imidazole

1-[(4-chloro-2-methoxyphenyl)methyl]imidazole (PubChem CID 69219836) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 1-[(4-chloro-2-methoxyphenyl)methyl]imidazole.

Molecular Properties

Compound Name1-[(4-chloro-2-methoxyphenyl)methyl]imidazole
PubChem CID69219836
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name1-[(4-chloro-2-methoxyphenyl)methyl]imidazole
SMILESCOc1cc(Cl)ccc1Cn1ccnc1
InChIInChI=1S/C11H11ClN2O/c1-15-11-6-10(12)3-2-9(11)7-14-5-4-13-8-14/h2-6,8H,7H2,1H3
InChIKeyVQVAKQOXNVONIU-UHFFFAOYSA-N
XLogP2.59
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis[4-(imidazol-1-ylmethyl)-3-methoxyphenyl]methanone
CID 57036756
1-[(2,5-dimethoxyphenyl)methyl]imidazole
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CID 21481677
3-(imidazol-1-ylmethyl)-4-methoxybenzaldehyde chloride
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1-[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]ethanone
CID 43233068
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CID 70506825
4-chloro-1-(isocyanomethyl)-2-methoxybenzene
CID 83482535
N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 66529631
1-[[3,5-bis(imidazol-1-ylmethyl)-2,4,6-trimethoxyphenyl]methyl]imidazole
CID 102363409
N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]-4-methoxyaniline
CID 20956347
(4-chloro-2-methoxyphenyl)methanesulfonyl chloride
CID 84708491
1-[5-chloro-2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-N-methylmethanamine
CID 104664553

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-methoxyphenyl)methyl]imidazole?
The IUPAC name of 1-[(4-chloro-2-methoxyphenyl)methyl]imidazole (CID 69219836) is 1-[(4-chloro-2-methoxyphenyl)methyl]imidazole.
What is the SMILES notation for 1-[(4-chloro-2-methoxyphenyl)methyl]imidazole?
The canonical SMILES for 1-[(4-chloro-2-methoxyphenyl)methyl]imidazole is COc1cc(Cl)ccc1Cn1ccnc1.
What is the InChIKey of 1-[(4-chloro-2-methoxyphenyl)methyl]imidazole?
The InChIKey is VQVAKQOXNVONIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-15-11-6-10(12)3-2-9(11)7-14-5-4-13-8-14/h2-6,8H,7H2,1H3.
What are the key properties of 1-[(4-chloro-2-methoxyphenyl)methyl]imidazole?
1-[(4-chloro-2-methoxyphenyl)methyl]imidazole has a molecular weight of 222.68 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-methoxyphenyl)methyl]imidazole is sourced from PubChem (CID 69219836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).