3-ethyl-2-[hydroxy(diphenyl)methyl]-1,2-dihydrobenzimidazole-5-carboxylic acid

C23H22N2O3 — CID 118515881

IUPAC3-ethyl-2-[hydroxy(diphenyl)methyl]-1,2-dihydrobenzimidazole-5-carboxylic acid
SMILESCCN1c2cc(C(=O)O)ccc2NC1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22N2O3/c1-2-25-20-15-16(21(26)27)13-14-19(20)24-22(25)23(28,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,22,24,28H,2H2,1H3,(H,26,27)
InChIKeyYIPQQZJKYSHHNH-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.90
Rot. Bonds5

About 3-ethyl-2-[hydroxy(diphenyl)methyl]-1,2-dihydrobenzimidazole-5-carboxylic acid

3-ethyl-2-[hydroxy(diphenyl)methyl]-1,2-dihydrobenzimidazole-5-carboxylic acid (PubChem CID 118515881) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-ethyl-2-[hydroxy(diphenyl)methyl]-1,2-dihydrobenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-2-[hydroxy(diphenyl)methyl]-1,2-dihydrobenzimidazole-5-carboxylic acid
PubChem CID118515881
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name3-ethyl-2-[hydroxy(diphenyl)methyl]-1,2-dihydrobenzimidazole-5-carboxylic acid
SMILESCCN1c2cc(C(=O)O)ccc2NC1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22N2O3/c1-2-25-20-15-16(21(26)27)13-14-19(20)24-22(25)23(28,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,22,24,28H,2H2,1H3,(H,26,27)
InChIKeyYIPQQZJKYSHHNH-UHFFFAOYSA-N
XLogP3.90
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[hydroxy(diphenyl)methyl]-1,2-dihydrobenzimidazole-5-carboxylic acid?
The IUPAC name of 3-ethyl-2-[hydroxy(diphenyl)methyl]-1,2-dihydrobenzimidazole-5-carboxylic acid (CID 118515881) is 3-ethyl-2-[hydroxy(diphenyl)methyl]-1,2-dihydrobenzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-ethyl-2-[hydroxy(diphenyl)methyl]-1,2-dihydrobenzimidazole-5-carboxylic acid?
The canonical SMILES for 3-ethyl-2-[hydroxy(diphenyl)methyl]-1,2-dihydrobenzimidazole-5-carboxylic acid is CCN1c2cc(C(=O)O)ccc2NC1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-ethyl-2-[hydroxy(diphenyl)methyl]-1,2-dihydrobenzimidazole-5-carboxylic acid?
The InChIKey is YIPQQZJKYSHHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-2-25-20-15-16(21(26)27)13-14-19(20)24-22(25)23(28,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,22,24,28H,2H2,1H3,(H,26,27).
What are the key properties of 3-ethyl-2-[hydroxy(diphenyl)methyl]-1,2-dihydrobenzimidazole-5-carboxylic acid?
3-ethyl-2-[hydroxy(diphenyl)methyl]-1,2-dihydrobenzimidazole-5-carboxylic acid has a molecular weight of 374.44 g/mol, XLogP of 3.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[hydroxy(diphenyl)methyl]-1,2-dihydrobenzimidazole-5-carboxylic acid is sourced from PubChem (CID 118515881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).