2-(2-cyclopropyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)acetic acid

C12H16N2O2 — CID 83864743

IUPAC2-(2-cyclopropyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)acetic acid
SMILESO=C(O)CC1CCc2nc(C3CC3)[nH]c2C1
InChIInChI=1S/C12H16N2O2/c15-11(16)6-7-1-4-9-10(5-7)14-12(13-9)8-2-3-8/h7-8H,1-6H2,(H,13,14)(H,15,16)
InChIKeyPVGWJBDDGUOCCL-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.87
Rot. Bonds3

About 2-(2-cyclopropyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)acetic acid

2-(2-cyclopropyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)acetic acid (PubChem CID 83864743) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(2-cyclopropyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-cyclopropyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)acetic acid
PubChem CID83864743
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(2-cyclopropyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)acetic acid
SMILESO=C(O)CC1CCc2nc(C3CC3)[nH]c2C1
InChIInChI=1S/C12H16N2O2/c15-11(16)6-7-1-4-9-10(5-7)14-12(13-9)8-2-3-8/h7-8H,1-6H2,(H,13,14)(H,15,16)
InChIKeyPVGWJBDDGUOCCL-UHFFFAOYSA-N
XLogP1.87
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)acetic acid
CID 84695210
2-(2,3-dimethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)acetic acid
CID 82395345
(5S)-2-(4,4-difluorocyclohexyl)-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine
CID 124670008
2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)azetidin-3-yl]acetic acid
CID 136959028
2-(3-methylidenecyclopentyl)acetic acid
CID 55303837
2-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)acetic acid
CID 84667789
2-(3-oxo-1,2,4,5,6,7-hexahydroindazol-5-yl)acetic acid
CID 82399790
6-propyl-4,5,6,7-tetrahydro-1H-benzimidazole-2-carbaldehyde
CID 63926595
2-(2-methyl-5,6,7,8-tetrahydroquinazolin-7-yl)acetic acid
CID 82396006
(6-propyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanol
CID 63926784
2-(3-ethyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)acetic acid
CID 84722836
(2-benzyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanamine
CID 82387272

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)acetic acid?
The IUPAC name of 2-(2-cyclopropyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)acetic acid (CID 83864743) is 2-(2-cyclopropyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)acetic acid.
What is the SMILES notation for 2-(2-cyclopropyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)acetic acid?
The canonical SMILES for 2-(2-cyclopropyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)acetic acid is O=C(O)CC1CCc2nc(C3CC3)[nH]c2C1.
What is the InChIKey of 2-(2-cyclopropyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)acetic acid?
The InChIKey is PVGWJBDDGUOCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-11(16)6-7-1-4-9-10(5-7)14-12(13-9)8-2-3-8/h7-8H,1-6H2,(H,13,14)(H,15,16).
What are the key properties of 2-(2-cyclopropyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)acetic acid?
2-(2-cyclopropyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)acetic acid has a molecular weight of 220.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)acetic acid is sourced from PubChem (CID 83864743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).