methyl 2-(3,4-dichlorophenyl)-1H-benzimidazole-4-carboxylate

C15H10Cl2N2O2 — CID 115357533

IUPACmethyl 2-(3,4-dichlorophenyl)-1H-benzimidazole-4-carboxylate
SMILESCOC(=O)c1cccc2[nH]c(-c3ccc(Cl)c(Cl)c3)nc12
InChIInChI=1S/C15H10Cl2N2O2/c1-21-15(20)9-3-2-4-12-13(9)19-14(18-12)8-5-6-10(16)11(17)7-8/h2-7H,1H3,(H,18,19)
InChIKeySDIPXUNNVOIHNB-UHFFFAOYSA-N
MW321.16 g/mol
LogP4.32
Rot. Bonds2

About methyl 2-(3,4-dichlorophenyl)-1H-benzimidazole-4-carboxylate

methyl 2-(3,4-dichlorophenyl)-1H-benzimidazole-4-carboxylate (PubChem CID 115357533) has the molecular formula C15H10Cl2N2O2 and a molecular weight of 321.16 g/mol. Its IUPAC name is methyl 2-(3,4-dichlorophenyl)-1H-benzimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3,4-dichlorophenyl)-1H-benzimidazole-4-carboxylate
PubChem CID115357533
Molecular FormulaC15H10Cl2N2O2
Molecular Weight321.16 g/mol
Exact Mass320.01
IUPAC Namemethyl 2-(3,4-dichlorophenyl)-1H-benzimidazole-4-carboxylate
SMILESCOC(=O)c1cccc2[nH]c(-c3ccc(Cl)c(Cl)c3)nc12
InChIInChI=1S/C15H10Cl2N2O2/c1-21-15(20)9-3-2-4-12-13(9)19-14(18-12)8-5-6-10(16)11(17)7-8/h2-7H,1H3,(H,18,19)
InChIKeySDIPXUNNVOIHNB-UHFFFAOYSA-N
XLogP4.32
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(3,4-dichlorophenyl)-1H-benzimidazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(4-fluoro-3-methylphenyl)-1H-benzimidazole-4-carboxylate
CID 115357577
methyl 2-(4-chloro-2-oxo-1H-pyridin-3-yl)-1H-benzimidazole-4-carboxylate
CID 136502034
methyl 2-[4-chloro-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxylate
CID 67201064
2-(3-bromo-4-chlorophenyl)-1H-benzimidazole-4-carboxylic acid
CID 107989442
methyl 2-(2-ethylphenyl)-1H-benzimidazole-4-carboxylate
CID 115357707
methyl 2-(4-methoxythiophen-2-yl)-1H-benzimidazole-4-carboxylate
CID 115357609
4-methoxycarbonyl-1H-benzimidazole-2-carboxylic acid
CID 18354914
methyl 2-(5-bromofuran-2-yl)-1H-benzimidazole-4-carboxylate
CID 113293389
methyl 2-(2-methoxy-3-pyridinyl)-1H-benzimidazole-4-carboxylate
CID 115357602
methyl 2-(2-bromo-6-fluorophenyl)-1H-benzimidazole-4-carboxylate
CID 114560144
methyl 2-formyl-1H-benzimidazole-4-carboxylate
CID 18354851
methyl 2-(3-bromophenyl)-7-chloro-3H-benzimidazole-5-carboxylate
CID 91686704

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,4-dichlorophenyl)-1H-benzimidazole-4-carboxylate?
The IUPAC name of methyl 2-(3,4-dichlorophenyl)-1H-benzimidazole-4-carboxylate (CID 115357533) is methyl 2-(3,4-dichlorophenyl)-1H-benzimidazole-4-carboxylate.
What is the SMILES notation for methyl 2-(3,4-dichlorophenyl)-1H-benzimidazole-4-carboxylate?
The canonical SMILES for methyl 2-(3,4-dichlorophenyl)-1H-benzimidazole-4-carboxylate is COC(=O)c1cccc2[nH]c(-c3ccc(Cl)c(Cl)c3)nc12.
What is the InChIKey of methyl 2-(3,4-dichlorophenyl)-1H-benzimidazole-4-carboxylate?
The InChIKey is SDIPXUNNVOIHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2/c1-21-15(20)9-3-2-4-12-13(9)19-14(18-12)8-5-6-10(16)11(17)7-8/h2-7H,1H3,(H,18,19).
What are the key properties of methyl 2-(3,4-dichlorophenyl)-1H-benzimidazole-4-carboxylate?
methyl 2-(3,4-dichlorophenyl)-1H-benzimidazole-4-carboxylate has a molecular weight of 321.16 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,4-dichlorophenyl)-1H-benzimidazole-4-carboxylate is sourced from PubChem (CID 115357533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).