N-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide

C22H24N4O2 — CID 17030481

IUPACN-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)Cn2c(CCNC(=O)C3CC3)nc3ccccc32)cc1
InChIInChI=1S/C22H24N4O2/c1-15-6-10-17(11-7-15)24-21(27)14-26-19-5-3-2-4-18(19)25-20(26)12-13-23-22(28)16-8-9-16/h2-7,10-11,16H,8-9,12-14H2,1H3,(H,23,28)(H,24,27)
InChIKeyOHVJQGYKAKEWJS-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.05
Rot. Bonds7

About N-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide

N-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide (PubChem CID 17030481) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
PubChem CID17030481
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)Cn2c(CCNC(=O)C3CC3)nc3ccccc32)cc1
InChIInChI=1S/C22H24N4O2/c1-15-6-10-17(11-7-15)24-21(27)14-26-19-5-3-2-4-18(19)25-20(26)12-13-23-22(28)16-8-9-16/h2-7,10-11,16H,8-9,12-14H2,1H3,(H,23,28)(H,24,27)
InChIKeyOHVJQGYKAKEWJS-UHFFFAOYSA-N
XLogP3.05
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 17031298
N-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 17030383
N-[2-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 17030488
N-[3-[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 17031362
N-[2-(1-butylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16975142
N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16975159
N-[3-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 17031290
methyl 2-[2-[2-(cyclohexanecarbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16975124
N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]butanamide
CID 17030370
N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16975148
2-methyl-N-[[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029366
N-[2-[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 17030725

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide (CID 17030481) is N-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide is Cc1ccc(NC(=O)Cn2c(CCNC(=O)C3CC3)nc3ccccc32)cc1.
What is the InChIKey of N-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is OHVJQGYKAKEWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-6-10-17(11-7-15)24-21(27)14-26-19-5-3-2-4-18(19)25-20(26)12-13-23-22(28)16-8-9-16/h2-7,10-11,16H,8-9,12-14H2,1H3,(H,23,28)(H,24,27).
What are the key properties of N-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?
N-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.05, 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-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 17030481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).