N-[1-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide

C24H21Cl2N3O — CID 16967490

IUPACN-[1-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(C)c1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H21Cl2N3O/c1-15-7-3-4-8-18(15)24(30)27-16(2)23-28-21-9-5-6-10-22(21)29(23)14-17-11-12-19(25)20(26)13-17/h3-13,16H,14H2,1-2H3,(H,27,30)
InChIKeyQEAVSOUUKCTOHS-UHFFFAOYSA-N
MW438.36 g/mol
LogP6.19
Rot. Bonds5

About N-[1-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide

N-[1-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide (PubChem CID 16967490) has the molecular formula C24H21Cl2N3O and a molecular weight of 438.36 g/mol. Its IUPAC name is N-[1-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
PubChem CID16967490
Molecular FormulaC24H21Cl2N3O
Molecular Weight438.36 g/mol
Exact Mass437.11
IUPAC NameN-[1-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(C)c1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H21Cl2N3O/c1-15-7-3-4-8-18(15)24(30)27-16(2)23-28-21-9-5-6-10-22(21)29(23)14-17-11-12-19(25)20(26)13-17/h3-13,16H,14H2,1-2H3,(H,27,30)
InChIKeyQEAVSOUUKCTOHS-UHFFFAOYSA-N
XLogP6.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.36
LogP ≤ 56.19
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-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972536
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
2-methyl-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967470
N-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 7007721
N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967343
N-[(1R)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 7214248
N-[1-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967510
N-[1-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 17029814
4-chloro-N-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009491
N-[1-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967564

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide?
The IUPAC name of N-[1-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide (CID 16967490) is N-[1-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide?
The canonical SMILES for N-[1-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NC(C)c1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide?
The InChIKey is QEAVSOUUKCTOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N3O/c1-15-7-3-4-8-18(15)24(30)27-16(2)23-28-21-9-5-6-10-22(21)29(23)14-17-11-12-19(25)20(26)13-17/h3-13,16H,14H2,1-2H3,(H,27,30).
What are the key properties of N-[1-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide?
N-[1-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide has a molecular weight of 438.36 g/mol, XLogP of 6.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide is sourced from PubChem (CID 16967490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).