3-[(2,4-dichlorophenyl)methyl]-2-methylbenzimidazole-5-carboxamide

C16H13Cl2N3O — CID 18681118

IUPAC3-[(2,4-dichlorophenyl)methyl]-2-methylbenzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(N)=O)cc2n1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2N3O/c1-9-20-14-5-3-10(16(19)22)6-15(14)21(9)8-11-2-4-12(17)7-13(11)18/h2-7H,8H2,1H3,(H2,19,22)
InChIKeyHYWHIQPGBQHILG-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.80
Rot. Bonds3

About 3-[(2,4-dichlorophenyl)methyl]-2-methylbenzimidazole-5-carboxamide

3-[(2,4-dichlorophenyl)methyl]-2-methylbenzimidazole-5-carboxamide (PubChem CID 18681118) has the molecular formula C16H13Cl2N3O and a molecular weight of 334.21 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methyl]-2-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methyl]-2-methylbenzimidazole-5-carboxamide
PubChem CID18681118
Molecular FormulaC16H13Cl2N3O
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name3-[(2,4-dichlorophenyl)methyl]-2-methylbenzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(N)=O)cc2n1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2N3O/c1-9-20-14-5-3-10(16(19)22)6-15(14)21(9)8-11-2-4-12(17)7-13(11)18/h2-7H,8H2,1H3,(H2,19,22)
InChIKeyHYWHIQPGBQHILG-UHFFFAOYSA-N
XLogP3.80
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chloro-4-phenylphenyl)methyl]-2-methylbenzimidazole-5-carboxamide
CID 174361162
ethyl 3-[(2-chloro-4-ethylphenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 22508820
ethyl 3-[(2-chloro-4-methoxycarbonylphenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 18467652
N-(butylsulfamoyl)-3-[(2,4-dichlorophenyl)methyl]-2-methylbenzimidazole-5-carboxamide
CID 18467562
3-[(2-chloro-4-phenylphenyl)methyl]-2-methylbenzimidazole-5-carboxamide;pentane-1-sulfonamide
CID 174361161
1-[(2,4-dichlorophenyl)methyl]-6-[3-hydroxypentyl(sulfinato)carbamoyl]-2-methylbenzimidazole
CID 174361471
3-[(2,4-dichlorophenyl)methyl]-N-(4-ethenylphenyl)sulfonyl-2-methylbenzimidazole-5-carboxamide
CID 18467551
6-[(5-bromothiophen-2-yl)-sulfinocarbamoyl]-1-[(2,4-dichlorophenyl)methyl]-2-methylbenzimidazole
CID 174360847
1-[(2,4-dichlorophenyl)methyl]-2-methyl-4-oxoquinazoline-7-carboxylic acid
CID 22387822
ethyl 3-[(2-chloro-4-nitrophenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 22508700
1-[(2,4-dichlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid
CID 22387929
ethyl 2-benzyl-3-[(2,4-dichlorophenyl)methyl]benzimidazole-5-carboxylate
CID 18315443

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methyl]-2-methylbenzimidazole-5-carboxamide?
The IUPAC name of 3-[(2,4-dichlorophenyl)methyl]-2-methylbenzimidazole-5-carboxamide (CID 18681118) is 3-[(2,4-dichlorophenyl)methyl]-2-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methyl]-2-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methyl]-2-methylbenzimidazole-5-carboxamide is Cc1nc2ccc(C(N)=O)cc2n1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methyl]-2-methylbenzimidazole-5-carboxamide?
The InChIKey is HYWHIQPGBQHILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O/c1-9-20-14-5-3-10(16(19)22)6-15(14)21(9)8-11-2-4-12(17)7-13(11)18/h2-7H,8H2,1H3,(H2,19,22).
What are the key properties of 3-[(2,4-dichlorophenyl)methyl]-2-methylbenzimidazole-5-carboxamide?
3-[(2,4-dichlorophenyl)methyl]-2-methylbenzimidazole-5-carboxamide has a molecular weight of 334.21 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methyl]-2-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 18681118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).