(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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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).