(1-benzylimidazol-2-yl)-(5-chloro-2-methoxyphenyl)methanone

C18H15ClN2O2 — CID 58962556

IUPAC(1-benzylimidazol-2-yl)-(5-chloro-2-methoxyphenyl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)c1nccn1Cc1ccccc1
InChIInChI=1S/C18H15ClN2O2/c1-23-16-8-7-14(19)11-15(16)17(22)18-20-9-10-21(18)12-13-5-3-2-4-6-13/h2-11H,12H2,1H3
InChIKeyOIDRLBFIDKGNFR-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.82
Rot. Bonds5

About (1-benzylimidazol-2-yl)-(5-chloro-2-methoxyphenyl)methanone

(1-benzylimidazol-2-yl)-(5-chloro-2-methoxyphenyl)methanone (PubChem CID 58962556) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is (1-benzylimidazol-2-yl)-(5-chloro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(1-benzylimidazol-2-yl)-(5-chloro-2-methoxyphenyl)methanone
PubChem CID58962556
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name(1-benzylimidazol-2-yl)-(5-chloro-2-methoxyphenyl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)c1nccn1Cc1ccccc1
InChIInChI=1S/C18H15ClN2O2/c1-23-16-8-7-14(19)11-15(16)17(22)18-20-9-10-21(18)12-13-5-3-2-4-6-13/h2-11H,12H2,1H3
InChIKeyOIDRLBFIDKGNFR-UHFFFAOYSA-N
XLogP3.82
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzylimidazol-2-yl)-(3,4-dimethoxy-5-nitrophenyl)methanone
CID 19000154
(5-chloro-2-methoxyphenyl)-(2-ethoxyphenyl)methanone
CID 79020316
N-[2-(1-benzylimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 134039597
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-methoxybenzamide
CID 134027438
(5-chloro-2-methoxyphenyl)-pyrimidin-4-ylmethanone
CID 63988733
(5-chloro-2-methoxyphenyl)-(2,3-dichlorophenyl)methanone
CID 86028415
(1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 81285036
[1-[(5-chloro-2-pyridinyl)methyl]imidazol-2-yl]-phenylmethanone
CID 99802791
4-[[2-(2-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560557
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 46765943
(2-chloro-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 112694005
ethyl (E)-2-(1-benzylimidazol-2-yl)-3-[3-(difluoromethoxy)-4-methoxyphenyl]prop-2-enoate
CID 60583250

Frequently Asked Questions

What is the IUPAC name of (1-benzylimidazol-2-yl)-(5-chloro-2-methoxyphenyl)methanone?
The IUPAC name of (1-benzylimidazol-2-yl)-(5-chloro-2-methoxyphenyl)methanone (CID 58962556) is (1-benzylimidazol-2-yl)-(5-chloro-2-methoxyphenyl)methanone.
What is the SMILES notation for (1-benzylimidazol-2-yl)-(5-chloro-2-methoxyphenyl)methanone?
The canonical SMILES for (1-benzylimidazol-2-yl)-(5-chloro-2-methoxyphenyl)methanone is COc1ccc(Cl)cc1C(=O)c1nccn1Cc1ccccc1.
What is the InChIKey of (1-benzylimidazol-2-yl)-(5-chloro-2-methoxyphenyl)methanone?
The InChIKey is OIDRLBFIDKGNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-23-16-8-7-14(19)11-15(16)17(22)18-20-9-10-21(18)12-13-5-3-2-4-6-13/h2-11H,12H2,1H3.
What are the key properties of (1-benzylimidazol-2-yl)-(5-chloro-2-methoxyphenyl)methanone?
(1-benzylimidazol-2-yl)-(5-chloro-2-methoxyphenyl)methanone has a molecular weight of 326.78 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylimidazol-2-yl)-(5-chloro-2-methoxyphenyl)methanone is sourced from PubChem (CID 58962556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).