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

C19H19N3O2 — CID 110765756

IUPACN-(4-acetylphenyl)-1-propan-2-ylbenzimidazole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc3c(c2)ncn3C(C)C)cc1
InChIInChI=1S/C19H19N3O2/c1-12(2)22-11-20-17-10-15(6-9-18(17)22)19(24)21-16-7-4-14(5-8-16)13(3)23/h4-12H,1-3H3,(H,21,24)
InChIKeyHJIYQGKGXKVZJJ-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.07
Rot. Bonds4

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

N-(4-acetylphenyl)-1-propan-2-ylbenzimidazole-5-carboxamide (PubChem CID 110765756) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-propan-2-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-propan-2-ylbenzimidazole-5-carboxamide
PubChem CID110765756
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(4-acetylphenyl)-1-propan-2-ylbenzimidazole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc3c(c2)ncn3C(C)C)cc1
InChIInChI=1S/C19H19N3O2/c1-12(2)22-11-20-17-10-15(6-9-18(17)22)19(24)21-16-7-4-14(5-8-16)13(3)23/h4-12H,1-3H3,(H,21,24)
InChIKeyHJIYQGKGXKVZJJ-UHFFFAOYSA-N
XLogP4.07
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-1-propan-2-ylbenzimidazole-5-carboxamide
CID 110765757
N-(4-acetylphenyl)-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide
CID 110765986
4-oxo-4-(1-propan-2-ylbenzimidazol-5-yl)butanoic acid
CID 82500461
N-(4-acetylphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 60954488
N-(1-propan-2-ylbenzimidazol-5-yl)methanesulfonamide
CID 110779145
N-(4-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766586
N-(4-fluorophenyl)-1-propan-2-ylbenzotriazole-5-carboxamide
CID 53051601
1-methyl-N-(4-pyrrolidin-1-ylphenyl)benzimidazole-5-carboxamide
CID 110692640
N-(3,5-dichlorophenyl)-1-methylbenzimidazole-5-carboxamide
CID 100775867
N-(4-butylphenyl)-1-methylbenzimidazole-5-carboxamide
CID 100775922
[3-(methylamino)pyrrolidin-1-yl]-(1-propan-2-ylbenzimidazol-5-yl)methanone
CID 75495784
N-(4-bromophenyl)-1-phenylbenzimidazole-5-carboxamide
CID 121080165

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-propan-2-ylbenzimidazole-5-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1-propan-2-ylbenzimidazole-5-carboxamide (CID 110765756) is N-(4-acetylphenyl)-1-propan-2-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-propan-2-ylbenzimidazole-5-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1-propan-2-ylbenzimidazole-5-carboxamide is CC(=O)c1ccc(NC(=O)c2ccc3c(c2)ncn3C(C)C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1-propan-2-ylbenzimidazole-5-carboxamide?
The InChIKey is HJIYQGKGXKVZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12(2)22-11-20-17-10-15(6-9-18(17)22)19(24)21-16-7-4-14(5-8-16)13(3)23/h4-12H,1-3H3,(H,21,24).
What are the key properties of N-(4-acetylphenyl)-1-propan-2-ylbenzimidazole-5-carboxamide?
N-(4-acetylphenyl)-1-propan-2-ylbenzimidazole-5-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 4.07, 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-propan-2-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 110765756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).