N-[3-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]propyl]-2-methylpropanamide

C22H26N4O2 — CID 17031053

IUPACN-[3-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]propyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCCc1nc2ccccc2n1CC(=O)Nc1ccccc1
InChIInChI=1S/C22H26N4O2/c1-16(2)22(28)23-14-8-13-20-25-18-11-6-7-12-19(18)26(20)15-21(27)24-17-9-4-3-5-10-17/h3-7,9-12,16H,8,13-15H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyPUSORUSLIGVSPN-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.38
Rot. Bonds8

About N-[3-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]propyl]-2-methylpropanamide

N-[3-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]propyl]-2-methylpropanamide (PubChem CID 17031053) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[3-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]propyl]-2-methylpropanamide
PubChem CID17031053
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[3-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]propyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCCc1nc2ccccc2n1CC(=O)Nc1ccccc1
InChIInChI=1S/C22H26N4O2/c1-16(2)22(28)23-14-8-13-20-25-18-11-6-7-12-19(18)26(20)15-21(27)24-17-9-4-3-5-10-17/h3-7,9-12,16H,8,13-15H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyPUSORUSLIGVSPN-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 17031298
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 4754827
2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 17031168
N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]butanamide
CID 17030370
2-methyl-N-[3-(1-undecylbenzimidazol-2-yl)propyl]propanamide
CID 16980820
N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 18811164
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 18811165
N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17029087
N-(3-chlorophenyl)-2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]acetamide
CID 17031158
2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]-N-methylacetamide
CID 1153553
N-[3-[1-[2-(4-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
CID 17031119
propan-2-yl 2-[2-[5-(2-methylpropanoylamino)pentyl]benzimidazol-1-yl]acetate
CID 16988772

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]propyl]-2-methylpropanamide?
The IUPAC name of N-[3-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]propyl]-2-methylpropanamide (CID 17031053) is N-[3-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]propyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]propyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]propyl]-2-methylpropanamide is CC(C)C(=O)NCCCc1nc2ccccc2n1CC(=O)Nc1ccccc1.
What is the InChIKey of N-[3-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]propyl]-2-methylpropanamide?
The InChIKey is PUSORUSLIGVSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16(2)22(28)23-14-8-13-20-25-18-11-6-7-12-19(18)26(20)15-21(27)24-17-9-4-3-5-10-17/h3-7,9-12,16H,8,13-15H2,1-2H3,(H,23,28)(H,24,27).
What are the key properties of N-[3-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]propyl]-2-methylpropanamide?
N-[3-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]propyl]-2-methylpropanamide has a molecular weight of 378.48 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]propyl]-2-methylpropanamide is sourced from PubChem (CID 17031053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).