2-[5,6-dimethyl-2-(2-phenylethyl)benzimidazol-1-yl]acetic acid

C19H20N2O2 — CID 94748100

IUPAC2-[5,6-dimethyl-2-(2-phenylethyl)benzimidazol-1-yl]acetic acid
SMILESCc1cc2nc(CCc3ccccc3)n(CC(=O)O)c2cc1C
InChIInChI=1S/C19H20N2O2/c1-13-10-16-17(11-14(13)2)21(12-19(22)23)18(20-16)9-8-15-6-4-3-5-7-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,22,23)
InChIKeyVPADLFORXQCYDV-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.52
Rot. Bonds5

About 2-[5,6-dimethyl-2-(2-phenylethyl)benzimidazol-1-yl]acetic acid

2-[5,6-dimethyl-2-(2-phenylethyl)benzimidazol-1-yl]acetic acid (PubChem CID 94748100) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[5,6-dimethyl-2-(2-phenylethyl)benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5,6-dimethyl-2-(2-phenylethyl)benzimidazol-1-yl]acetic acid
PubChem CID94748100
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-[5,6-dimethyl-2-(2-phenylethyl)benzimidazol-1-yl]acetic acid
SMILESCc1cc2nc(CCc3ccccc3)n(CC(=O)O)c2cc1C
InChIInChI=1S/C19H20N2O2/c1-13-10-16-17(11-14(13)2)21(12-19(22)23)18(20-16)9-8-15-6-4-3-5-7-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,22,23)
InChIKeyVPADLFORXQCYDV-UHFFFAOYSA-N
XLogP3.52
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetic acid
CID 62336744
2-[5,6-dimethyl-2-(3-methylbutyl)benzimidazol-1-yl]acetic acid
CID 62336746
2-[2-[(dimethylamino)methyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 55159468
2-[2-(cyclopropylmethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 62335822
2-[4-oxo-2-(2-phenylethyl)quinazolin-1-yl]acetic acid
CID 58788257
2-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]acetic acid
CID 82145200
2-[5,6-dimethyl-2-(trichloromethyl)benzimidazol-1-yl]acetic acid
CID 94748222
2-[2-(difluoromethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 62337121
2-[2-(4-aminophenyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 71683625
2-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 94748134
1-(3,4-dimethylphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea
CID 46287188
3-[2-(2-phenylethyl)benzimidazol-1-yl]propanoic acid
CID 82144764

Frequently Asked Questions

What is the IUPAC name of 2-[5,6-dimethyl-2-(2-phenylethyl)benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[5,6-dimethyl-2-(2-phenylethyl)benzimidazol-1-yl]acetic acid (CID 94748100) is 2-[5,6-dimethyl-2-(2-phenylethyl)benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5,6-dimethyl-2-(2-phenylethyl)benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[5,6-dimethyl-2-(2-phenylethyl)benzimidazol-1-yl]acetic acid is Cc1cc2nc(CCc3ccccc3)n(CC(=O)O)c2cc1C.
What is the InChIKey of 2-[5,6-dimethyl-2-(2-phenylethyl)benzimidazol-1-yl]acetic acid?
The InChIKey is VPADLFORXQCYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13-10-16-17(11-14(13)2)21(12-19(22)23)18(20-16)9-8-15-6-4-3-5-7-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,22,23).
What are the key properties of 2-[5,6-dimethyl-2-(2-phenylethyl)benzimidazol-1-yl]acetic acid?
2-[5,6-dimethyl-2-(2-phenylethyl)benzimidazol-1-yl]acetic acid has a molecular weight of 308.38 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-dimethyl-2-(2-phenylethyl)benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 94748100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).