2-methyl-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]benzamide

C22H27N3O — CID 16967470

IUPAC2-methyl-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]benzamide
SMILESCCC(C)Cn1c(C(C)NC(=O)c2ccccc2C)nc2ccccc21
InChIInChI=1S/C22H27N3O/c1-5-15(2)14-25-20-13-9-8-12-19(20)24-21(25)17(4)23-22(26)18-11-7-6-10-16(18)3/h6-13,15,17H,5,14H2,1-4H3,(H,23,26)
InChIKeyGZKHPHHTFMHTGU-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.88
Rot. Bonds6

About 2-methyl-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]benzamide

2-methyl-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16967470) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-methyl-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]benzamide
PubChem CID16967470
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name2-methyl-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]benzamide
SMILESCCC(C)Cn1c(C(C)NC(=O)c2ccccc2C)nc2ccccc21
InChIInChI=1S/C22H27N3O/c1-5-15(2)14-25-20-13-9-8-12-19(20)24-21(25)17(4)23-22(26)18-11-7-6-10-16(18)3/h6-13,15,17H,5,14H2,1-4H3,(H,23,26)
InChIKeyGZKHPHHTFMHTGU-UHFFFAOYSA-N
XLogP4.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967495
N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967488
2-methyl-N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967499
N-[1-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967510
N-[1-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967490
2-(4-chlorophenyl)-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]acetamide
CID 16972996
N-[1-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967564
N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16967909
N-[1-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967574
N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967527
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide
CID 751204
N-[1-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 17029814

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 2-methyl-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]benzamide (CID 16967470) is 2-methyl-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 2-methyl-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]benzamide is CCC(C)Cn1c(C(C)NC(=O)c2ccccc2C)nc2ccccc21.
What is the InChIKey of 2-methyl-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is GZKHPHHTFMHTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-5-15(2)14-25-20-13-9-8-12-19(20)24-21(25)17(4)23-22(26)18-11-7-6-10-16(18)3/h6-13,15,17H,5,14H2,1-4H3,(H,23,26).
What are the key properties of 2-methyl-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]benzamide?
2-methyl-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 349.48 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16967470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).