1-(4-chlorophenyl)-2-ethylbenzimidazole-5-carboxylic acid

C16H13ClN2O2 — CID 43140431

IUPAC1-(4-chlorophenyl)-2-ethylbenzimidazole-5-carboxylic acid
SMILESCCc1nc2cc(C(=O)O)ccc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O2/c1-2-15-18-13-9-10(16(20)21)3-8-14(13)19(15)12-6-4-11(17)5-7-12/h3-9H,2H2,1H3,(H,20,21)
InChIKeyYUFVKMGKWWLQGX-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.94
Rot. Bonds3

About 1-(4-chlorophenyl)-2-ethylbenzimidazole-5-carboxylic acid

1-(4-chlorophenyl)-2-ethylbenzimidazole-5-carboxylic acid (PubChem CID 43140431) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-ethylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-ethylbenzimidazole-5-carboxylic acid
PubChem CID43140431
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name1-(4-chlorophenyl)-2-ethylbenzimidazole-5-carboxylic acid
SMILESCCc1nc2cc(C(=O)O)ccc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O2/c1-2-15-18-13-9-10(16(20)21)3-8-14(13)19(15)12-6-4-11(17)5-7-12/h3-9H,2H2,1H3,(H,20,21)
InChIKeyYUFVKMGKWWLQGX-UHFFFAOYSA-N
XLogP3.94
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-ethylbenzimidazole-5-carboxylic acid?
The IUPAC name of 1-(4-chlorophenyl)-2-ethylbenzimidazole-5-carboxylic acid (CID 43140431) is 1-(4-chlorophenyl)-2-ethylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(4-chlorophenyl)-2-ethylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(4-chlorophenyl)-2-ethylbenzimidazole-5-carboxylic acid is CCc1nc2cc(C(=O)O)ccc2n1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-ethylbenzimidazole-5-carboxylic acid?
The InChIKey is YUFVKMGKWWLQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-2-15-18-13-9-10(16(20)21)3-8-14(13)19(15)12-6-4-11(17)5-7-12/h3-9H,2H2,1H3,(H,20,21).
What are the key properties of 1-(4-chlorophenyl)-2-ethylbenzimidazole-5-carboxylic acid?
1-(4-chlorophenyl)-2-ethylbenzimidazole-5-carboxylic acid has a molecular weight of 300.75 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-ethylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 43140431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).