N-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide

C23H28N4O2 — CID 17030096

IUPACN-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
SMILESCc1cccc(NC(=O)Cn2c(C(C)NC(=O)C(C)C)nc3ccccc32)c1C
InChIInChI=1S/C23H28N4O2/c1-14(2)23(29)24-17(5)22-26-19-10-6-7-12-20(19)27(22)13-21(28)25-18-11-8-9-15(3)16(18)4/h6-12,14,17H,13H2,1-5H3,(H,24,29)(H,25,28)
InChIKeyUVAQQBQHCWYVDQ-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.13
Rot. Bonds6

About N-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide

N-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide (PubChem CID 17030096) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
PubChem CID17030096
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
SMILESCc1cccc(NC(=O)Cn2c(C(C)NC(=O)C(C)C)nc3ccccc32)c1C
InChIInChI=1S/C23H28N4O2/c1-14(2)23(29)24-17(5)22-26-19-10-6-7-12-20(19)27(22)13-21(28)25-18-11-8-9-15(3)16(18)4/h6-12,14,17H,13H2,1-5H3,(H,24,29)(H,25,28)
InChIKeyUVAQQBQHCWYVDQ-UHFFFAOYSA-N
XLogP4.13
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 17029754
N-[1-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029665
2-chloro-N-[1-[1-[2-(2-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029834
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 17030975
2-(2-methylphenyl)-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide
CID 16973153
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]propanamide
CID 17029919
N-[1-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 17030107
N-[2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide
CID 20895410
2-ethyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969021
N-[1-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]benzamide
CID 3949916
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029637
2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-N-(2-phenylphenyl)acetamide
CID 112787842

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide?
The IUPAC name of N-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide (CID 17030096) is N-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide is Cc1cccc(NC(=O)Cn2c(C(C)NC(=O)C(C)C)nc3ccccc32)c1C.
What is the InChIKey of N-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide?
The InChIKey is UVAQQBQHCWYVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-14(2)23(29)24-17(5)22-26-19-10-6-7-12-20(19)27(22)13-21(28)25-18-11-8-9-15(3)16(18)4/h6-12,14,17H,13H2,1-5H3,(H,24,29)(H,25,28).
What are the key properties of N-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide?
N-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide has a molecular weight of 392.50 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide is sourced from PubChem (CID 17030096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).