1-[(1,5-dimethylbenzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid

C16H20N2O2 — CID 60783556

IUPAC1-[(1,5-dimethylbenzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid
SMILESCc1ccc2c(c1)nc(CC1(C(=O)O)CCCC1)n2C
InChIInChI=1S/C16H20N2O2/c1-11-5-6-13-12(9-11)17-14(18(13)2)10-16(15(19)20)7-3-4-8-16/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,19,20)
InChIKeyJIHGYPKWXMGYLF-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.07
Rot. Bonds3

About 1-[(1,5-dimethylbenzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid

1-[(1,5-dimethylbenzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 60783556) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[(1,5-dimethylbenzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1,5-dimethylbenzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid
PubChem CID60783556
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[(1,5-dimethylbenzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid
SMILESCc1ccc2c(c1)nc(CC1(C(=O)O)CCCC1)n2C
InChIInChI=1S/C16H20N2O2/c1-11-5-6-13-12(9-11)17-14(18(13)2)10-16(15(19)20)7-3-4-8-16/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,19,20)
InChIKeyJIHGYPKWXMGYLF-UHFFFAOYSA-N
XLogP3.07
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-methylbenzimidazol-2-yl)methyl]cycloheptane-1-carboxylic acid
CID 43470977
1-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid
CID 62377222
1-[(5-methyl-1,3-benzoxazol-2-yl)methyl]cyclohexane-1-carboxylic acid
CID 60917797
1-[(1,7-dimethylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid
CID 81455939
2-[1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid
CID 61071138
2-(1,5-dimethylbenzimidazol-2-yl)ethanethiol
CID 82333350
1-(1,5-dimethylbenzimidazol-2-yl)-N-methylmethanamine
CID 60785141
2-[5-methyl-1-(1-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid
CID 64689211
2-[1-[(1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid
CID 61070767
N-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-2,3-dihydroxy-3-methylbutanamide
CID 154843835
ethyl 1-(1,5-dimethylbenzimidazol-2-yl)cyclopropane-1-carboxylate
CID 79471719
1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-(1-pyridin-4-ylpropyl)urea
CID 119052040

Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylbenzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(1,5-dimethylbenzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid (CID 60783556) is 1-[(1,5-dimethylbenzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(1,5-dimethylbenzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(1,5-dimethylbenzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid is Cc1ccc2c(c1)nc(CC1(C(=O)O)CCCC1)n2C.
What is the InChIKey of 1-[(1,5-dimethylbenzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is JIHGYPKWXMGYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-5-6-13-12(9-11)17-14(18(13)2)10-16(15(19)20)7-3-4-8-16/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,19,20).
What are the key properties of 1-[(1,5-dimethylbenzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid?
1-[(1,5-dimethylbenzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethylbenzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 60783556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).