N-(4-acetylphenyl)-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide

C20H21N3O2 — CID 110765986

IUPACN-(4-acetylphenyl)-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc3c(c2)nc(C(C)C)n3C)cc1
InChIInChI=1S/C20H21N3O2/c1-12(2)19-22-17-11-15(7-10-18(17)23(19)4)20(25)21-16-8-5-14(6-9-16)13(3)24/h5-12H,1-4H3,(H,21,25)
InChIKeyGDIANHMTBZCRSB-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.15
Rot. Bonds4

About N-(4-acetylphenyl)-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide

N-(4-acetylphenyl)-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide (PubChem CID 110765986) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide
PubChem CID110765986
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(4-acetylphenyl)-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc3c(c2)nc(C(C)C)n3C)cc1
InChIInChI=1S/C20H21N3O2/c1-12(2)19-22-17-11-15(7-10-18(17)23(19)4)20(25)21-16-8-5-14(6-9-16)13(3)24/h5-12H,1-4H3,(H,21,25)
InChIKeyGDIANHMTBZCRSB-UHFFFAOYSA-N
XLogP4.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide
CID 110765952
N-(4-acetylphenyl)-1-propan-2-ylbenzimidazole-5-carboxamide
CID 110765756
2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone
CID 82497951
N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyridine-2-carboxamide
CID 110793268
3-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propan-1-one
CID 96677452
1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 110765831
(4-methylpiperazin-1-yl)-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanone
CID 110765962
N-(4-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766586
N-(4-acetylphenyl)-1,2,3-trimethylindole-5-carboxamide
CID 5128643
2-(cyclopropylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone
CID 96679214
N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanesulfonamide
CID 110779354
1-cyclopentyl-3-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)urea
CID 110774752

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide (CID 110765986) is N-(4-acetylphenyl)-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide is CC(=O)c1ccc(NC(=O)c2ccc3c(c2)nc(C(C)C)n3C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide?
The InChIKey is GDIANHMTBZCRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-12(2)19-22-17-11-15(7-10-18(17)23(19)4)20(25)21-16-8-5-14(6-9-16)13(3)24/h5-12H,1-4H3,(H,21,25).
What are the key properties of N-(4-acetylphenyl)-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide?
N-(4-acetylphenyl)-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 110765986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).