N-(3-acetamidophenyl)-1-propan-2-ylbenzimidazole-5-carboxamide

C19H20N4O2 — CID 110765757

IUPACN-(3-acetamidophenyl)-1-propan-2-ylbenzimidazole-5-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)ncn3C(C)C)c1
InChIInChI=1S/C19H20N4O2/c1-12(2)23-11-20-17-9-14(7-8-18(17)23)19(25)22-16-6-4-5-15(10-16)21-13(3)24/h4-12H,1-3H3,(H,21,24)(H,22,25)
InChIKeyDXJWRHLYHPUKTM-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.83
Rot. Bonds4

About N-(3-acetamidophenyl)-1-propan-2-ylbenzimidazole-5-carboxamide

N-(3-acetamidophenyl)-1-propan-2-ylbenzimidazole-5-carboxamide (PubChem CID 110765757) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-1-propan-2-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-1-propan-2-ylbenzimidazole-5-carboxamide
PubChem CID110765757
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-(3-acetamidophenyl)-1-propan-2-ylbenzimidazole-5-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)ncn3C(C)C)c1
InChIInChI=1S/C19H20N4O2/c1-12(2)23-11-20-17-9-14(7-8-18(17)23)19(25)22-16-6-4-5-15(10-16)21-13(3)24/h4-12H,1-3H3,(H,21,24)(H,22,25)
InChIKeyDXJWRHLYHPUKTM-UHFFFAOYSA-N
XLogP3.83
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-1-propan-2-ylbenzimidazole-5-carboxamide
CID 110765756
N-(3-acetamidophenyl)-2-ethyl-1-methylbenzimidazole-5-carboxamide
CID 100776792
4-oxo-4-(1-propan-2-ylbenzimidazol-5-yl)butanoic acid
CID 82500461
N-(3-acetamidophenyl)-2-bromopyridine-4-carboxamide
CID 71854176
N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide
CID 27259059
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081
N-(3-acetamidophenyl)-4-tert-butylbenzamide
CID 722339
N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide
CID 39889179
3-N-(3-acetamidophenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051379
1-N-(3-acetamidophenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide
CID 109044156
N-(3,5-dichlorophenyl)-1-methylbenzimidazole-5-carboxamide
CID 100775867
[3-(methylamino)pyrrolidin-1-yl]-(1-propan-2-ylbenzimidazol-5-yl)methanone
CID 75495784

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-1-propan-2-ylbenzimidazole-5-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-1-propan-2-ylbenzimidazole-5-carboxamide (CID 110765757) is N-(3-acetamidophenyl)-1-propan-2-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-1-propan-2-ylbenzimidazole-5-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-1-propan-2-ylbenzimidazole-5-carboxamide is CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)ncn3C(C)C)c1.
What is the InChIKey of N-(3-acetamidophenyl)-1-propan-2-ylbenzimidazole-5-carboxamide?
The InChIKey is DXJWRHLYHPUKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12(2)23-11-20-17-9-14(7-8-18(17)23)19(25)22-16-6-4-5-15(10-16)21-13(3)24/h4-12H,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N-(3-acetamidophenyl)-1-propan-2-ylbenzimidazole-5-carboxamide?
N-(3-acetamidophenyl)-1-propan-2-ylbenzimidazole-5-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-1-propan-2-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 110765757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).