N-[2-(1-butylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide

C22H27N3O — CID 16979073

IUPACN-[2-(1-butylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide
SMILESCCCCn1c(CCNC(=O)Cc2ccccc2C)nc2ccccc21
InChIInChI=1S/C22H27N3O/c1-3-4-15-25-20-12-8-7-11-19(20)24-21(25)13-14-23-22(26)16-18-10-6-5-9-17(18)2/h5-12H,3-4,13-16H2,1-2H3,(H,23,26)
InChIKeyVCEPJOIGHZYIEN-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.05
Rot. Bonds8

About N-[2-(1-butylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide

N-[2-(1-butylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide (PubChem CID 16979073) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[2-(1-butylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(1-butylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide
PubChem CID16979073
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-[2-(1-butylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide
SMILESCCCCn1c(CCNC(=O)Cc2ccccc2C)nc2ccccc21
InChIInChI=1S/C22H27N3O/c1-3-4-15-25-20-12-8-7-11-19(20)24-21(25)13-14-23-22(26)16-18-10-6-5-9-17(18)2/h5-12H,3-4,13-16H2,1-2H3,(H,23,26)
InChIKeyVCEPJOIGHZYIEN-UHFFFAOYSA-N
XLogP4.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-decylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 16979081
2-(2-methylphenyl)-N-[5-(1-pentylbenzimidazol-2-yl)pentyl]acetamide
CID 16993490
N-[2-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16979156
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-(2-methylphenyl)acetamide
CID 16985019
N-[2-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16979146
N-[2-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16979182
N-[2-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16979159
2-(2-methylphenyl)-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]acetamide
CID 16979071
2-(2-methylphenyl)-N-[5-[1-(2-phenylethyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993525
2-(2-chlorophenyl)-N-[2-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 16979229
N-[(1-butylbenzimidazol-2-yl)methyl]-2-methylbenzamide
CID 17006780
N-[2-(1-nonylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 16979890

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-butylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[2-(1-butylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide (CID 16979073) is N-[2-(1-butylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(1-butylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[2-(1-butylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide is CCCCn1c(CCNC(=O)Cc2ccccc2C)nc2ccccc21.
What is the InChIKey of N-[2-(1-butylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide?
The InChIKey is VCEPJOIGHZYIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-3-4-15-25-20-12-8-7-11-19(20)24-21(25)13-14-23-22(26)16-18-10-6-5-9-17(18)2/h5-12H,3-4,13-16H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(1-butylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide?
N-[2-(1-butylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide has a molecular weight of 349.48 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-butylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 16979073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).