4-[1-[1-(dimethylamino)-1-oxopropan-2-yl]benzimidazol-2-yl]-N-methylbenzamide

C20H22N4O2 — CID 175453669

IUPAC4-[1-[1-(dimethylamino)-1-oxopropan-2-yl]benzimidazol-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2nc3ccccc3n2C(C)C(=O)N(C)C)cc1
InChIInChI=1S/C20H22N4O2/c1-13(20(26)23(3)4)24-17-8-6-5-7-16(17)22-18(24)14-9-11-15(12-10-14)19(25)21-2/h5-13H,1-4H3,(H,21,25)
InChIKeyQTNPRZKUHYAYHF-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.71
Rot. Bonds4

About 4-[1-[1-(dimethylamino)-1-oxopropan-2-yl]benzimidazol-2-yl]-N-methylbenzamide

4-[1-[1-(dimethylamino)-1-oxopropan-2-yl]benzimidazol-2-yl]-N-methylbenzamide (PubChem CID 175453669) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-[1-[1-(dimethylamino)-1-oxopropan-2-yl]benzimidazol-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[1-[1-(dimethylamino)-1-oxopropan-2-yl]benzimidazol-2-yl]-N-methylbenzamide
PubChem CID175453669
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-[1-[1-(dimethylamino)-1-oxopropan-2-yl]benzimidazol-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2nc3ccccc3n2C(C)C(=O)N(C)C)cc1
InChIInChI=1S/C20H22N4O2/c1-13(20(26)23(3)4)24-17-8-6-5-7-16(17)22-18(24)14-9-11-15(12-10-14)19(25)21-2/h5-13H,1-4H3,(H,21,25)
InChIKeyQTNPRZKUHYAYHF-UHFFFAOYSA-N
XLogP2.71
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-propan-2-ylbenzimidazol-2-yl)benzoic acid
CID 4915596
2-[2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylpropanamide
CID 61467796
4-[1-(2-aminocyclohexyl)benzimidazol-2-yl]-N-methylbenzamide
CID 175453744
2-(2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid
CID 82144822
(2S)-2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide
CID 14390407
N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]pyridine-4-carboxamide
CID 17438775
2-(4-methylphenyl)-1-(1-phenylethyl)benzimidazole
CID 18878803
N-methyl-4-[1-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzimidazol-2-yl]benzamide
CID 175453707
2-phenyl-1-(1-phenylsulfanylethyl)benzimidazole
CID 3729841
2-[2-(4-methylphenyl)benzimidazol-1-yl]butanoic acid
CID 82144650
4-methyl-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzamide
CID 53063067
1-(2-deuteriopropan-2-yl)-2-phenylbenzimidazole
CID 166563925

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(dimethylamino)-1-oxopropan-2-yl]benzimidazol-2-yl]-N-methylbenzamide?
The IUPAC name of 4-[1-[1-(dimethylamino)-1-oxopropan-2-yl]benzimidazol-2-yl]-N-methylbenzamide (CID 175453669) is 4-[1-[1-(dimethylamino)-1-oxopropan-2-yl]benzimidazol-2-yl]-N-methylbenzamide.
What is the SMILES notation for 4-[1-[1-(dimethylamino)-1-oxopropan-2-yl]benzimidazol-2-yl]-N-methylbenzamide?
The canonical SMILES for 4-[1-[1-(dimethylamino)-1-oxopropan-2-yl]benzimidazol-2-yl]-N-methylbenzamide is CNC(=O)c1ccc(-c2nc3ccccc3n2C(C)C(=O)N(C)C)cc1.
What is the InChIKey of 4-[1-[1-(dimethylamino)-1-oxopropan-2-yl]benzimidazol-2-yl]-N-methylbenzamide?
The InChIKey is QTNPRZKUHYAYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13(20(26)23(3)4)24-17-8-6-5-7-16(17)22-18(24)14-9-11-15(12-10-14)19(25)21-2/h5-13H,1-4H3,(H,21,25).
What are the key properties of 4-[1-[1-(dimethylamino)-1-oxopropan-2-yl]benzimidazol-2-yl]-N-methylbenzamide?
4-[1-[1-(dimethylamino)-1-oxopropan-2-yl]benzimidazol-2-yl]-N-methylbenzamide has a molecular weight of 350.42 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(dimethylamino)-1-oxopropan-2-yl]benzimidazol-2-yl]-N-methylbenzamide is sourced from PubChem (CID 175453669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).