methyl 2-amino-1-(2-chlorophenyl)benzimidazole-5-carboxylate

C15H12ClN3O2 — CID 139659046

IUPACmethyl 2-amino-1-(2-chlorophenyl)benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(N)n2-c1ccccc1Cl
InChIInChI=1S/C15H12ClN3O2/c1-21-14(20)9-6-7-13-11(8-9)18-15(17)19(13)12-5-3-2-4-10(12)16/h2-8H,1H3,(H2,17,18)
InChIKeyUCXNPRONKSFSQM-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.05
Rot. Bonds2

About methyl 2-amino-1-(2-chlorophenyl)benzimidazole-5-carboxylate

methyl 2-amino-1-(2-chlorophenyl)benzimidazole-5-carboxylate (PubChem CID 139659046) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is methyl 2-amino-1-(2-chlorophenyl)benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-1-(2-chlorophenyl)benzimidazole-5-carboxylate
PubChem CID139659046
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Namemethyl 2-amino-1-(2-chlorophenyl)benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(N)n2-c1ccccc1Cl
InChIInChI=1S/C15H12ClN3O2/c1-21-14(20)9-6-7-13-11(8-9)18-15(17)19(13)12-5-3-2-4-10(12)16/h2-8H,1H3,(H2,17,18)
InChIKeyUCXNPRONKSFSQM-UHFFFAOYSA-N
XLogP3.05
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]benzimidazole-5-carboxylate;dihydrobromide
CID 140862551
2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxylic acid;methyl 2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxylate
CID 162200376
methyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 2336595
methyl 1-benzyl-2-methylbenzimidazole-5-carboxylate
CID 1070610
methyl phenazine-2-carboxylate
CID 617185
tetramethyl 1-(2-chlorophenyl)pyrrole-2,3,4,5-tetracarboxylate
CID 44632136
2-amino-1-(2-methylphenyl)benzimidazol-5-ol
CID 84799586
1-(2-bromophenyl)-5-chlorobenzimidazol-2-amine
CID 43659474
methyl 1-(2-bromophenyl)benzimidazole-5-carboxylate
CID 67372009
1-(2,3-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 43322761
7-chloro-1-(2-chlorophenyl)benzimidazol-2-amine
CID 43661829
methyl 2-aminoquinoline-7-carboxylate
CID 118266696

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-1-(2-chlorophenyl)benzimidazole-5-carboxylate?
The IUPAC name of methyl 2-amino-1-(2-chlorophenyl)benzimidazole-5-carboxylate (CID 139659046) is methyl 2-amino-1-(2-chlorophenyl)benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 2-amino-1-(2-chlorophenyl)benzimidazole-5-carboxylate?
The canonical SMILES for methyl 2-amino-1-(2-chlorophenyl)benzimidazole-5-carboxylate is COC(=O)c1ccc2c(c1)nc(N)n2-c1ccccc1Cl.
What is the InChIKey of methyl 2-amino-1-(2-chlorophenyl)benzimidazole-5-carboxylate?
The InChIKey is UCXNPRONKSFSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-21-14(20)9-6-7-13-11(8-9)18-15(17)19(13)12-5-3-2-4-10(12)16/h2-8H,1H3,(H2,17,18).
What are the key properties of methyl 2-amino-1-(2-chlorophenyl)benzimidazole-5-carboxylate?
methyl 2-amino-1-(2-chlorophenyl)benzimidazole-5-carboxylate has a molecular weight of 301.73 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-1-(2-chlorophenyl)benzimidazole-5-carboxylate is sourced from PubChem (CID 139659046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).