2-[1-[(1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid

C16H20N2O2 — CID 61070767

IUPAC2-[1-[(1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid
SMILESCn1c(CC2(CC(=O)O)CCCC2)nc2ccccc21
InChIInChI=1S/C16H20N2O2/c1-18-13-7-3-2-6-12(13)17-14(18)10-16(11-15(19)20)8-4-5-9-16/h2-3,6-7H,4-5,8-11H2,1H3,(H,19,20)
InChIKeyKQTNKWHSARPPIY-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.15
Rot. Bonds4

About 2-[1-[(1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid

2-[1-[(1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid (PubChem CID 61070767) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[1-[(1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid
PubChem CID61070767
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[1-[(1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid
SMILESCn1c(CC2(CC(=O)O)CCCC2)nc2ccccc21
InChIInChI=1S/C16H20N2O2/c1-18-13-7-3-2-6-12(13)17-14(18)10-16(11-15(19)20)8-4-5-9-16/h2-3,6-7H,4-5,8-11H2,1H3,(H,19,20)
InChIKeyKQTNKWHSARPPIY-UHFFFAOYSA-N
XLogP3.15
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid
CID 61071138
1-[(1-methylbenzimidazol-2-yl)methyl]cycloheptane-1-carboxylic acid
CID 43470977
2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]cyclohexan-1-ol
CID 79753321
3-[(1-methylbenzimidazol-2-yl)methyl]-1,1-dioxothiolan-3-ol
CID 79753747
2-[2-[3-(1-methylbenzimidazol-2-yl)propanoyl]-1,3-dihydroinden-2-yl]acetic acid
CID 157241684
4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride
CID 71828515
2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetic acid
CID 101152444
4-[(1-methylbenzimidazol-2-yl)methyl]azepan-4-ol
CID 103982830
1-[1-hydroxy-2-(1-methylbenzimidazol-2-yl)ethyl]cycloheptan-1-ol
CID 103452132
N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 77081858
2-(iodomethyl)-1-methylbenzimidazole
CID 20803299
6-(1-methylbenzimidazol-2-yl)-5-oxohexanoic acid
CID 58580438

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid (CID 61070767) is 2-[1-[(1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid is Cn1c(CC2(CC(=O)O)CCCC2)nc2ccccc21.
What is the InChIKey of 2-[1-[(1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid?
The InChIKey is KQTNKWHSARPPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-18-13-7-3-2-6-12(13)17-14(18)10-16(11-15(19)20)8-4-5-9-16/h2-3,6-7H,4-5,8-11H2,1H3,(H,19,20).
What are the key properties of 2-[1-[(1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid?
2-[1-[(1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid has a molecular weight of 272.35 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61070767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).