N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide

C24H31N3O — CID 16985028

IUPACN-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide
SMILESCCC(C)Cn1c(CCCNC(=O)Cc2ccccc2C)nc2ccccc21
InChIInChI=1S/C24H31N3O/c1-4-18(2)17-27-22-13-8-7-12-21(22)26-23(27)14-9-15-25-24(28)16-20-11-6-5-10-19(20)3/h5-8,10-13,18H,4,9,14-17H2,1-3H3,(H,25,28)
InChIKeyVBLQBAIFCBKQKS-UHFFFAOYSA-N
MW377.53 g/mol
LogP4.68
Rot. Bonds9

About N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide

N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide (PubChem CID 16985028) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide
PubChem CID16985028
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC NameN-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide
SMILESCCC(C)Cn1c(CCCNC(=O)Cc2ccccc2C)nc2ccccc21
InChIInChI=1S/C24H31N3O/c1-4-18(2)17-27-22-13-8-7-12-21(22)26-23(27)14-9-15-25-24(28)16-20-11-6-5-10-19(20)3/h5-8,10-13,18H,4,9,14-17H2,1-3H3,(H,25,28)
InChIKeyVBLQBAIFCBKQKS-UHFFFAOYSA-N
XLogP4.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-(2-methylphenyl)acetamide
CID 16985019
4-methyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide
CID 16984255
N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide
CID 16985043
2,4-dimethyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide
CID 16982511
2-(2-methylphenyl)-N-[5-(1-pentylbenzimidazol-2-yl)pentyl]acetamide
CID 16993490
2-(4-methoxyphenyl)-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993974
2-ethyl-N-[2-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974700
N-[2-(1-butylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 16979073
2-(2-methylphenyl)-N-[5-[1-(2-phenylethyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993525
N-[2-(1-decylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 16979081
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 4754827
2-(2-chlorophenyl)-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993644

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide (CID 16985028) is N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide is CCC(C)Cn1c(CCCNC(=O)Cc2ccccc2C)nc2ccccc21.
What is the InChIKey of N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide?
The InChIKey is VBLQBAIFCBKQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-4-18(2)17-27-22-13-8-7-12-21(22)26-23(27)14-9-15-25-24(28)16-20-11-6-5-10-19(20)3/h5-8,10-13,18H,4,9,14-17H2,1-3H3,(H,25,28).
What are the key properties of N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide?
N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide has a molecular weight of 377.53 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 16985028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).