N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylpropanamide

C22H27N3O — CID 16970595

IUPACN-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylpropanamide
SMILESCC(C)CCn1c(CNC(=O)CCc2ccccc2)nc2ccccc21
InChIInChI=1S/C22H27N3O/c1-17(2)14-15-25-20-11-7-6-10-19(20)24-21(25)16-23-22(26)13-12-18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3,(H,23,26)
InChIKeyKHUAMZZWOJSOFF-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.33
Rot. Bonds8

About N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylpropanamide

N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylpropanamide (PubChem CID 16970595) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylpropanamide
PubChem CID16970595
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylpropanamide
SMILESCC(C)CCn1c(CNC(=O)CCc2ccccc2)nc2ccccc21
InChIInChI=1S/C22H27N3O/c1-17(2)14-15-25-20-11-7-6-10-19(20)24-21(25)16-23-22(26)13-12-18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3,(H,23,26)
InChIKeyKHUAMZZWOJSOFF-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-pentylbenzimidazol-2-yl)methyl]-3-phenylpropanamide
CID 16970596
N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16985994
3-phenyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16978263
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970632
N-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970706
N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970622
N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16619678
N-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970652
N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970620
(Z)-N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970757
2,2-dimethyl-N-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]propanamide
CID 16969497
N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966506

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylpropanamide?
The IUPAC name of N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylpropanamide (CID 16970595) is N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylpropanamide.
What is the SMILES notation for N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylpropanamide?
The canonical SMILES for N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylpropanamide is CC(C)CCn1c(CNC(=O)CCc2ccccc2)nc2ccccc21.
What is the InChIKey of N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylpropanamide?
The InChIKey is KHUAMZZWOJSOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-17(2)14-15-25-20-11-7-6-10-19(20)24-21(25)16-23-22(26)13-12-18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3,(H,23,26).
What are the key properties of N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylpropanamide?
N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylpropanamide has a molecular weight of 349.48 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 16970595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).