(3,4-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone

C19H20N2O3 — CID 672916

IUPAC(3,4-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone
SMILESCOc1ccc(C(=O)c2nc3ccccc3n2C(C)C)cc1OC
InChIInChI=1S/C19H20N2O3/c1-12(2)21-15-8-6-5-7-14(15)20-19(21)18(22)13-9-10-16(23-3)17(11-13)24-4/h5-12H,1-4H3
InChIKeyFAPQCPKHLVRFCK-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.87
Rot. Bonds5

About (3,4-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone

(3,4-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone (PubChem CID 672916) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone
PubChem CID672916
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(3,4-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone
SMILESCOc1ccc(C(=O)c2nc3ccccc3n2C(C)C)cc1OC
InChIInChI=1S/C19H20N2O3/c1-12(2)21-15-8-6-5-7-14(15)20-19(21)18(22)13-9-10-16(23-3)17(11-13)24-4/h5-12H,1-4H3
InChIKeyFAPQCPKHLVRFCK-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

Benzoimidazol-1-YL-(4-methoxy-phenyl)-methanone
CID 710646
N,N-diisopentyl-2-(4-methoxybenzoyl)-3-(3-(piperidin-1-yl)propyl)-3H-benzo[d]imidazole-5-carboxamide
CID 44432966
N-(3,4-dimethoxybenzyl)-1-ethyl-1H-benzimidazol-2-amine
CID 937788
Ketone, 1-(2-(diethylamino)ethyl)-2-(p-ethoxybenzyl)-5-benzimidazolyl methyl
CID 25957
(2-Methoxyphenyl)-(1-methylbenzimidazol-2-yl)methanone
CID 711821
1-{4-[2-(1H-benzimidazol-1-yl)ethoxy]phenyl}-1-propanone hydrochloride
CID 2965954
2-(1-methyl-1H-1,3-benzodiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethan-1-one
CID 4962804
(2-Amino-benzoimidazol-1-yl)-(3,4-dimethoxy-phenyl)-methanone
CID 24746866
1-{4-[2-(1H-benzimidazol-1-yl)ethoxy]phenyl}ethanone
CID 583208
N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide
CID 751094
1-[4-(6-Fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 44522179
3,4-dimethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
CID 1262390

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone (CID 672916) is (3,4-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone is COc1ccc(C(=O)c2nc3ccccc3n2C(C)C)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone?
The InChIKey is FAPQCPKHLVRFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12(2)21-15-8-6-5-7-14(15)20-19(21)18(22)13-9-10-16(23-3)17(11-13)24-4/h5-12H,1-4H3.
What are the key properties of (3,4-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone?
(3,4-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 (3,4-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone is sourced from PubChem (CID 672916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).