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

C22H26N4O2 — CID 17030383

IUPACN-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
SMILESCCCC(=O)NCCc1nc2ccccc2n1CC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C22H26N4O2/c1-3-6-21(27)23-14-13-20-25-18-7-4-5-8-19(18)26(20)15-22(28)24-17-11-9-16(2)10-12-17/h4-5,7-12H,3,6,13-15H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyQVDONMLBLHZTNE-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.44
Rot. Bonds8

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

N-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide (PubChem CID 17030383) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
PubChem CID17030383
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
SMILESCCCC(=O)NCCc1nc2ccccc2n1CC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C22H26N4O2/c1-3-6-21(27)23-14-13-20-25-18-7-4-5-8-19(18)26(20)15-22(28)24-17-11-9-16(2)10-12-17/h4-5,7-12H,3,6,13-15H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyQVDONMLBLHZTNE-UHFFFAOYSA-N
XLogP3.44
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]butanamide
CID 17030370
N-[2-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 17030392
N-[3-[1-[2-(4-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
CID 17031119
N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
CID 4754944
N-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 17030481
N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 17030397
N-[[1-[2-(3,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 17028988
N-[3-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
CID 17031125
N-[[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 17028982
4-methyl-N-[2-[1-[2-oxo-2-(propylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030844
N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974507
N-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030679

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide?
The IUPAC name of N-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide (CID 17030383) is N-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide.
What is the SMILES notation for N-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide?
The canonical SMILES for N-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide is CCCC(=O)NCCc1nc2ccccc2n1CC(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide?
The InChIKey is QVDONMLBLHZTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-3-6-21(27)23-14-13-20-25-18-7-4-5-8-19(18)26(20)15-22(28)24-17-11-9-16(2)10-12-17/h4-5,7-12H,3,6,13-15H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide?
N-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide has a molecular weight of 378.48 g/mol, XLogP of 3.44, 8 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]butanamide is sourced from PubChem (CID 17030383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).