N-(4-acetamidophenyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide

C19H20N4O2 — CID 110765669

IUPACN-(4-acetamidophenyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc3nc(C(C)C)[nH]c3c2)cc1
InChIInChI=1S/C19H20N4O2/c1-11(2)18-22-16-9-4-13(10-17(16)23-18)19(25)21-15-7-5-14(6-8-15)20-12(3)24/h4-11H,1-3H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyNKJRDTIVARGBHB-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.90
Rot. Bonds4

About N-(4-acetamidophenyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide

N-(4-acetamidophenyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide (PubChem CID 110765669) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide
PubChem CID110765669
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-(4-acetamidophenyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc3nc(C(C)C)[nH]c3c2)cc1
InChIInChI=1S/C19H20N4O2/c1-11(2)18-22-16-9-4-13(10-17(16)23-18)19(25)21-15-7-5-14(6-8-15)20-12(3)24/h4-11H,1-3H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyNKJRDTIVARGBHB-UHFFFAOYSA-N
XLogP3.90
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(4-acetamidophenyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1H-indazol-6-yl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110765672
2-propan-2-yl-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 17368247
3,4-difluoro-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]benzamide
CID 131952585
N-cyclohexyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110765621
2-(difluoromethyl)-N-[3-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 56563825
N-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazine-2-carboxamide
CID 110793209
2-(ethylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone
CID 96675047
2-(4-acetamido-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide
CID 66965611
2-(difluoromethyl)-N-[4-(pyrimidin-2-ylamino)sulfanylphenyl]-3H-benzimidazole-5-carboxamide
CID 145039648
2-[(2-propan-2-yl-3H-benzimidazol-5-yl)carbamoylamino]acetic acid
CID 98034048
N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]benzamide
CID 110785727
N-(2-acetamidoethyl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)acetamide
CID 110772843

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide (CID 110765669) is N-(4-acetamidophenyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide is CC(=O)Nc1ccc(NC(=O)c2ccc3nc(C(C)C)[nH]c3c2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide?
The InChIKey is NKJRDTIVARGBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-11(2)18-22-16-9-4-13(10-17(16)23-18)19(25)21-15-7-5-14(6-8-15)20-12(3)24/h4-11H,1-3H3,(H,20,24)(H,21,25)(H,22,23).
What are the key properties of N-(4-acetamidophenyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide?
N-(4-acetamidophenyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110765669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).