2-(2,3-dimethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)acetic acid

C11H16N2O2 — CID 82395345

IUPAC2-(2,3-dimethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)acetic acid
SMILESCc1nc2c(n1C)CC(CC(=O)O)CC2
InChIInChI=1S/C11H16N2O2/c1-7-12-9-4-3-8(6-11(14)15)5-10(9)13(7)2/h8H,3-6H2,1-2H3,(H,14,15)
InChIKeyVRSNVLMZGZQAAV-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.31
Rot. Bonds2

About 2-(2,3-dimethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)acetic acid

2-(2,3-dimethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)acetic acid (PubChem CID 82395345) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(2,3-dimethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2,3-dimethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)acetic acid
PubChem CID82395345
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(2,3-dimethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)acetic acid
SMILESCc1nc2c(n1C)CC(CC(=O)O)CC2
InChIInChI=1S/C11H16N2O2/c1-7-12-9-4-3-8(6-11(14)15)5-10(9)13(7)2/h8H,3-6H2,1-2H3,(H,14,15)
InChIKeyVRSNVLMZGZQAAV-UHFFFAOYSA-N
XLogP1.31
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)acetic acid
CID 84722836
2,3-dimethyl-5,6-dihydro-4H-cyclopenta[d]imidazol-5-amine
CID 82417230
2-(1,2-dimethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)ethanol;vanadium
CID 59086015
2-(2-methyl-5,6,7,8-tetrahydroquinazolin-7-yl)acetic acid
CID 82396006
2-(2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)acetic acid
CID 84695210
2-(1-methyl-3-oxo-4,5,6,7-tetrahydro-2H-indazol-5-yl)acetic acid
CID 83863903
2-(2-cyclopropyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)acetic acid
CID 83864743
2-(3-methylidenecyclopentyl)acetic acid
CID 55303837
2-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)acetic acid
CID 84667789
2,3-dimethyl-5,6-dihydro-4H-cyclopenta[d]imidazole
CID 59430883
2-ethyl-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine
CID 82409325
2,3-dimethyl-5,6,7,8,9,10-hexahydro-4H-cyclonona[d]imidazole
CID 166685535

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)acetic acid?
The IUPAC name of 2-(2,3-dimethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)acetic acid (CID 82395345) is 2-(2,3-dimethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)acetic acid.
What is the SMILES notation for 2-(2,3-dimethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)acetic acid?
The canonical SMILES for 2-(2,3-dimethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)acetic acid is Cc1nc2c(n1C)CC(CC(=O)O)CC2.
What is the InChIKey of 2-(2,3-dimethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)acetic acid?
The InChIKey is VRSNVLMZGZQAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7-12-9-4-3-8(6-11(14)15)5-10(9)13(7)2/h8H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-(2,3-dimethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)acetic acid?
2-(2,3-dimethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)acetic acid has a molecular weight of 208.26 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)acetic acid is sourced from PubChem (CID 82395345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).