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

C21H24N4O2 — CID 17030370

IUPACN-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]butanamide
SMILESCCCC(=O)NCCc1nc2ccccc2n1CC(=O)Nc1ccccc1
InChIInChI=1S/C21H24N4O2/c1-2-8-20(26)22-14-13-19-24-17-11-6-7-12-18(17)25(19)15-21(27)23-16-9-4-3-5-10-16/h3-7,9-12H,2,8,13-15H2,1H3,(H,22,26)(H,23,27)
InChIKeyMBGPMNAJULMKEA-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.13
Rot. Bonds8

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

N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]butanamide (PubChem CID 17030370) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]butanamide
PubChem CID17030370
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]butanamide
SMILESCCCC(=O)NCCc1nc2ccccc2n1CC(=O)Nc1ccccc1
InChIInChI=1S/C21H24N4O2/c1-2-8-20(26)22-14-13-19-24-17-11-6-7-12-18(17)25(19)15-21(27)23-16-9-4-3-5-10-16/h3-7,9-12H,2,8,13-15H2,1H3,(H,22,26)(H,23,27)
InChIKeyMBGPMNAJULMKEA-UHFFFAOYSA-N
XLogP3.13
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.13
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]butanamide
CID 17030383
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-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 17030397
N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974507
N-[[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 17028982
N-[2-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide
CID 17030281
N-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030679
N-[[1-[2-(3,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 17028988
N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]-4-chlorobenzamide
CID 17030906
N-[3-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]propyl]-2-methylpropanamide
CID 17031053
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974512

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]butanamide?
The IUPAC name of N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]butanamide (CID 17030370) is N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]butanamide.
What is the SMILES notation for N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]butanamide?
The canonical SMILES for N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]butanamide is CCCC(=O)NCCc1nc2ccccc2n1CC(=O)Nc1ccccc1.
What is the InChIKey of N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]butanamide?
The InChIKey is MBGPMNAJULMKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-2-8-20(26)22-14-13-19-24-17-11-6-7-12-18(17)25(19)15-21(27)23-16-9-4-3-5-10-16/h3-7,9-12H,2,8,13-15H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]butanamide?
N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]butanamide has a molecular weight of 364.45 g/mol, XLogP of 3.13, 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-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]butanamide is sourced from PubChem (CID 17030370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).