N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide

C24H21ClFN3O — CID 16967032

IUPACN-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)c2nc3ccccc3n2Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C24H21ClFN3O/c1-15-7-5-8-17(13-15)24(30)27-16(2)23-28-21-11-3-4-12-22(21)29(23)14-18-19(25)9-6-10-20(18)26/h3-13,16H,14H2,1-2H3,(H,27,30)
InChIKeyYRBGBBFIECDACU-UHFFFAOYSA-N
MW421.90 g/mol
LogP5.68
Rot. Bonds5

About N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide

N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide (PubChem CID 16967032) has the molecular formula C24H21ClFN3O and a molecular weight of 421.90 g/mol. Its IUPAC name is N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
PubChem CID16967032
Molecular FormulaC24H21ClFN3O
Molecular Weight421.90 g/mol
Exact Mass421.14
IUPAC NameN-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)c2nc3ccccc3n2Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C24H21ClFN3O/c1-15-7-5-8-17(13-15)24(30)27-16(2)23-28-21-11-3-4-12-22(21)29(23)14-18-19(25)9-6-10-20(18)26/h3-13,16H,14H2,1-2H3,(H,27,30)
InChIKeyYRBGBBFIECDACU-UHFFFAOYSA-N
XLogP5.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.90
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967031
N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 4754932
N-[(1S)-1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 40910160
4-chloro-N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009483
N-[(1R)-1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 34958984
N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967041
3-methyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967026
N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 2989675
methyl 2-[2-[1-[(3-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16967151
N-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 17029726
N-[1-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967131
N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 4754925

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide?
The IUPAC name of N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide (CID 16967032) is N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide?
The canonical SMILES for N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide is Cc1cccc(C(=O)NC(C)c2nc3ccccc3n2Cc2c(F)cccc2Cl)c1.
What is the InChIKey of N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide?
The InChIKey is YRBGBBFIECDACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN3O/c1-15-7-5-8-17(13-15)24(30)27-16(2)23-28-21-11-3-4-12-22(21)29(23)14-18-19(25)9-6-10-20(18)26/h3-13,16H,14H2,1-2H3,(H,27,30).
What are the key properties of N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide?
N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide has a molecular weight of 421.90 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide is sourced from PubChem (CID 16967032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).