(2,3-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone

C19H20N2O3 — CID 842421

IUPAC(2,3-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone
SMILESCOc1cccc(C(=O)c2nc3ccccc3n2C(C)C)c1OC
InChIInChI=1S/C19H20N2O3/c1-12(2)21-15-10-6-5-9-14(15)20-19(21)17(22)13-8-7-11-16(23-3)18(13)24-4/h5-12H,1-4H3
InChIKeySLTZVJPHOZDKCX-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.87
Rot. Bonds5

About (2,3-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone

(2,3-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone (PubChem CID 842421) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone
PubChem CID842421
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(2,3-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone
SMILESCOc1cccc(C(=O)c2nc3ccccc3n2C(C)C)c1OC
InChIInChI=1S/C19H20N2O3/c1-12(2)21-15-10-6-5-9-14(15)20-19(21)17(22)13-8-7-11-16(23-3)18(13)24-4/h5-12H,1-4H3
InChIKeySLTZVJPHOZDKCX-UHFFFAOYSA-N
XLogP3.87
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
(2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone
CID 711826
(2,3-dimethoxyphenyl)-(4-fluorophenyl)methanone
CID 105078663
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55369561
2-(2-methoxyphenyl)-N-[2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]acetamide
CID 91821901
(2,3-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol
CID 2870450
[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl] 3,4,5-trimethoxybenzoate
CID 40656243
propan-2-yl 2,3-dimethoxybenzenecarboperoxoate
CID 173267428
(E)-3-(7-methoxy-1-propan-2-ylbenzimidazol-2-yl)prop-2-enoic acid
CID 84638120
(3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methanone
CID 105076168
2,3-dimethoxybenzamide;hydrate
CID 141005510
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone?
The IUPAC name of (2,3-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone (CID 842421) is (2,3-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone.
What is the SMILES notation for (2,3-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone?
The canonical SMILES for (2,3-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone is COc1cccc(C(=O)c2nc3ccccc3n2C(C)C)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone?
The InChIKey is SLTZVJPHOZDKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12(2)21-15-10-6-5-9-14(15)20-19(21)17(22)13-8-7-11-16(23-3)18(13)24-4/h5-12H,1-4H3.
What are the key properties of (2,3-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone?
(2,3-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone has a molecular weight of 324.38 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone is sourced from PubChem (CID 842421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).