(5-chloro-2-methoxy-3-methylphenyl)-(1-methylimidazol-2-yl)methanone

C13H13ClN2O2 — CID 82486462

IUPAC(5-chloro-2-methoxy-3-methylphenyl)-(1-methylimidazol-2-yl)methanone
SMILESCOc1c(C)cc(Cl)cc1C(=O)c1nccn1C
InChIInChI=1S/C13H13ClN2O2/c1-8-6-9(14)7-10(12(8)18-3)11(17)13-15-4-5-16(13)2/h4-7H,1-3H3
InChIKeyOVKWZGFMHGWYFT-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.62
Rot. Bonds3

About (5-chloro-2-methoxy-3-methylphenyl)-(1-methylimidazol-2-yl)methanone

(5-chloro-2-methoxy-3-methylphenyl)-(1-methylimidazol-2-yl)methanone (PubChem CID 82486462) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is (5-chloro-2-methoxy-3-methylphenyl)-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxy-3-methylphenyl)-(1-methylimidazol-2-yl)methanone
PubChem CID82486462
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name(5-chloro-2-methoxy-3-methylphenyl)-(1-methylimidazol-2-yl)methanone
SMILESCOc1c(C)cc(Cl)cc1C(=O)c1nccn1C
InChIInChI=1S/C13H13ClN2O2/c1-8-6-9(14)7-10(12(8)18-3)11(17)13-15-4-5-16(13)2/h4-7H,1-3H3
InChIKeyOVKWZGFMHGWYFT-UHFFFAOYSA-N
XLogP2.62
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-6-methoxy-2,4-dimethylphenyl)-(1-methylimidazol-2-yl)methanone
CID 98022056
[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-(1-methylimidazol-2-yl)methanone
CID 18332482
5-chloro-2-methoxy-3-methyl-N-pyrimidin-2-ylbenzamide
CID 110763000
(2-methoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methanone
CID 62876172
(4-chloro-2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanone
CID 82772383
(2,6-dichloro-4-pyridinyl)-(1-methylimidazol-2-yl)methanone
CID 54233902
5-chloro-2-methoxy-3-methyl-N-propan-2-ylbenzamide
CID 110762952
3-amino-1-(5-chloro-2-methoxy-3-methylphenyl)-2-hydroxypropan-1-one
CID 116826612
methyl 2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetate
CID 2998523
(2S)-2-(4-chloro-2-methylphenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide
CID 25406380
(2E,4E)-5-(5-chloro-2-methoxy-3-methylphenyl)hexa-2,4-dienoic acid
CID 116822547
(4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methanone
CID 114641937

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxy-3-methylphenyl)-(1-methylimidazol-2-yl)methanone?
The IUPAC name of (5-chloro-2-methoxy-3-methylphenyl)-(1-methylimidazol-2-yl)methanone (CID 82486462) is (5-chloro-2-methoxy-3-methylphenyl)-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for (5-chloro-2-methoxy-3-methylphenyl)-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for (5-chloro-2-methoxy-3-methylphenyl)-(1-methylimidazol-2-yl)methanone is COc1c(C)cc(Cl)cc1C(=O)c1nccn1C.
What is the InChIKey of (5-chloro-2-methoxy-3-methylphenyl)-(1-methylimidazol-2-yl)methanone?
The InChIKey is OVKWZGFMHGWYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-8-6-9(14)7-10(12(8)18-3)11(17)13-15-4-5-16(13)2/h4-7H,1-3H3.
What are the key properties of (5-chloro-2-methoxy-3-methylphenyl)-(1-methylimidazol-2-yl)methanone?
(5-chloro-2-methoxy-3-methylphenyl)-(1-methylimidazol-2-yl)methanone has a molecular weight of 264.71 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxy-3-methylphenyl)-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 82486462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).