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

C23H26N4O2 — CID 17030488

IUPACN-[2-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
SMILESCc1cccc(NC(=O)Cn2c(CCNC(=O)C3CC3)nc3ccccc32)c1C
InChIInChI=1S/C23H26N4O2/c1-15-6-5-8-18(16(15)2)26-22(28)14-27-20-9-4-3-7-19(20)25-21(27)12-13-24-23(29)17-10-11-17/h3-9,17H,10-14H2,1-2H3,(H,24,29)(H,26,28)
InChIKeyGTMFGZNDWLEFNM-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.36
Rot. Bonds7

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

N-[2-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide (PubChem CID 17030488) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[2-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
PubChem CID17030488
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[2-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
SMILESCc1cccc(NC(=O)Cn2c(CCNC(=O)C3CC3)nc3ccccc32)c1C
InChIInChI=1S/C23H26N4O2/c1-15-6-5-8-18(16(15)2)26-22(28)14-27-20-9-4-3-7-19(20)25-21(27)12-13-24-23(29)17-10-11-17/h3-9,17H,10-14H2,1-2H3,(H,24,29)(H,26,28)
InChIKeyGTMFGZNDWLEFNM-UHFFFAOYSA-N
XLogP3.36
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 17030481
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 17030975
N-[3-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 17031298
N-[2-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030588
N-[2-(1-butylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16975142
N-[3-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 17031290
N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16975159
N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16975074
methyl 2-[2-[2-(cyclohexanecarbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16975124
N-[2-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16975083
2-methyl-N-[3-[1-[2-(2-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031446
N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16975148

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide (CID 17030488) is N-[2-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide is Cc1cccc(NC(=O)Cn2c(CCNC(=O)C3CC3)nc3ccccc32)c1C.
What is the InChIKey of N-[2-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is GTMFGZNDWLEFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15-6-5-8-18(16(15)2)26-22(28)14-27-20-9-4-3-7-19(20)25-21(27)12-13-24-23(29)17-10-11-17/h3-9,17H,10-14H2,1-2H3,(H,24,29)(H,26,28).
What are the key properties of N-[2-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?
N-[2-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 17030488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).