2-[1-(1,2-dimethylbenzimidazol-5-yl)cyclopropyl]acetic acid

C14H16N2O2 — CID 117362592

IUPAC2-[1-(1,2-dimethylbenzimidazol-5-yl)cyclopropyl]acetic acid
SMILESCc1nc2cc(C3(CC(=O)O)CC3)ccc2n1C
InChIInChI=1S/C14H16N2O2/c1-9-15-11-7-10(3-4-12(11)16(9)2)14(5-6-14)8-13(17)18/h3-4,7H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyHDKSLXLASNEOEV-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.39
Rot. Bonds3

About 2-[1-(1,2-dimethylbenzimidazol-5-yl)cyclopropyl]acetic acid

2-[1-(1,2-dimethylbenzimidazol-5-yl)cyclopropyl]acetic acid (PubChem CID 117362592) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[1-(1,2-dimethylbenzimidazol-5-yl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(1,2-dimethylbenzimidazol-5-yl)cyclopropyl]acetic acid
PubChem CID117362592
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-[1-(1,2-dimethylbenzimidazol-5-yl)cyclopropyl]acetic acid
SMILESCc1nc2cc(C3(CC(=O)O)CC3)ccc2n1C
InChIInChI=1S/C14H16N2O2/c1-9-15-11-7-10(3-4-12(11)16(9)2)14(5-6-14)8-13(17)18/h3-4,7H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyHDKSLXLASNEOEV-UHFFFAOYSA-N
XLogP2.39
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,2-dimethylbenzimidazol-5-yl)-N'-methylcyclopropane-1-carbohydrazide
CID 116847356
(1,2-dimethylbenzimidazol-5-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
CID 116922620
5-(1-isocyanatocyclobutyl)-1,2-dimethylbenzimidazole
CID 117355332
3-(1,2-dimethylbenzimidazol-5-yl)-3,3-difluoropropanoic acid
CID 116838405
3-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]propanoic acid
CID 112519294
(1,2-dimethylbenzimidazol-5-yl) hydrogen carbonate
CID 23091994
3-(1,2-dimethylbenzimidazol-5-yl)-2-methyl-3-oxopropanoic acid
CID 116918248
2-chloro-1-(1,2-dimethylbenzimidazol-5-yl)ethanone
CID 39104493
1-benzyl-3-[(1,2-dimethylbenzimidazol-5-yl)methyl]urea
CID 110775488
2-(1,2-dimethylbenzimidazol-5-yl)ethylcarbamic acid
CID 115171173
2-(1,2-dimethylbenzimidazol-5-yl)sulfanylpropanoic acid
CID 116852451
N-[(1-hydroxycyclopentyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 111332930

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2-dimethylbenzimidazol-5-yl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(1,2-dimethylbenzimidazol-5-yl)cyclopropyl]acetic acid (CID 117362592) is 2-[1-(1,2-dimethylbenzimidazol-5-yl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(1,2-dimethylbenzimidazol-5-yl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(1,2-dimethylbenzimidazol-5-yl)cyclopropyl]acetic acid is Cc1nc2cc(C3(CC(=O)O)CC3)ccc2n1C.
What is the InChIKey of 2-[1-(1,2-dimethylbenzimidazol-5-yl)cyclopropyl]acetic acid?
The InChIKey is HDKSLXLASNEOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-15-11-7-10(3-4-12(11)16(9)2)14(5-6-14)8-13(17)18/h3-4,7H,5-6,8H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-(1,2-dimethylbenzimidazol-5-yl)cyclopropyl]acetic acid?
2-[1-(1,2-dimethylbenzimidazol-5-yl)cyclopropyl]acetic acid has a molecular weight of 244.29 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,2-dimethylbenzimidazol-5-yl)cyclopropyl]acetic acid is sourced from PubChem (CID 117362592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).