methyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate

C15H11ClN2O2 — CID 3008656

IUPACmethyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)[nH]c2c1
InChIInChI=1S/C15H11ClN2O2/c1-20-15(19)10-4-7-12-13(8-10)18-14(17-12)9-2-5-11(16)6-3-9/h2-8H,1H3,(H,17,18)
InChIKeyZJLVOLWJNUPTDZ-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.67
Rot. Bonds2

About methyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate

methyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate (PubChem CID 3008656) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is methyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate
PubChem CID3008656
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Namemethyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)[nH]c2c1
InChIInChI=1S/C15H11ClN2O2/c1-20-15(19)10-4-7-12-13(8-10)18-14(17-12)9-2-5-11(16)6-3-9/h2-8H,1H3,(H,17,18)
InChIKeyZJLVOLWJNUPTDZ-UHFFFAOYSA-N
XLogP3.67
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 1229665
methyl 2-(4-aminophenyl)-3H-benzimidazole-5-carboxylate
CID 4915421
ethyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate
CID 91673681
methyl 2-(3,4-dihydroxyphenyl)-3H-benzimidazole-5-carboxylate
CID 136663209
methyl 2-(4-propoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 91902829
2-[4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 10155700
methyl 2-(3-fluorophenyl)-3H-benzimidazole-5-carboxylate
CID 56737080
[1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 23943862
methyl 4-[[4-[6-[(4-methoxycarbonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]benzoate
CID 1144077
[(Z)-1-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]ethylideneamino]urea
CID 71594369
methyl 2-(3-phenoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 91902843
4-(6-chloro-1H-benzimidazol-2-yl)-N-ethylbenzamide
CID 100579654

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate?
The IUPAC name of methyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate (CID 3008656) is methyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate?
The canonical SMILES for methyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate is COC(=O)c1ccc2nc(-c3ccc(Cl)cc3)[nH]c2c1.
What is the InChIKey of methyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate?
The InChIKey is ZJLVOLWJNUPTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-20-15(19)10-4-7-12-13(8-10)18-14(17-12)9-2-5-11(16)6-3-9/h2-8H,1H3,(H,17,18).
What are the key properties of methyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate?
methyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate has a molecular weight of 286.72 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate is sourced from PubChem (CID 3008656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).