methyl 2-cyclopentyl-2-(5,6-dimethyl-1H-benzimidazol-2-yl)acetate

C17H22N2O2 — CID 115926140

IUPACmethyl 2-cyclopentyl-2-(5,6-dimethyl-1H-benzimidazol-2-yl)acetate
SMILESCOC(=O)C(c1nc2cc(C)c(C)cc2[nH]1)C1CCCC1
InChIInChI=1S/C17H22N2O2/c1-10-8-13-14(9-11(10)2)19-16(18-13)15(17(20)21-3)12-6-4-5-7-12/h8-9,12,15H,4-7H2,1-3H3,(H,18,19)
InChIKeyJFPVCJKGQKCKCZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.63
Rot. Bonds3

About methyl 2-cyclopentyl-2-(5,6-dimethyl-1H-benzimidazol-2-yl)acetate

methyl 2-cyclopentyl-2-(5,6-dimethyl-1H-benzimidazol-2-yl)acetate (PubChem CID 115926140) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is methyl 2-cyclopentyl-2-(5,6-dimethyl-1H-benzimidazol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-cyclopentyl-2-(5,6-dimethyl-1H-benzimidazol-2-yl)acetate
PubChem CID115926140
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Namemethyl 2-cyclopentyl-2-(5,6-dimethyl-1H-benzimidazol-2-yl)acetate
SMILESCOC(=O)C(c1nc2cc(C)c(C)cc2[nH]1)C1CCCC1
InChIInChI=1S/C17H22N2O2/c1-10-8-13-14(9-11(10)2)19-16(18-13)15(17(20)21-3)12-6-4-5-7-12/h8-9,12,15H,4-7H2,1-3H3,(H,18,19)
InChIKeyJFPVCJKGQKCKCZ-UHFFFAOYSA-N
XLogP3.63
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-cyclopentyl-2-(4-fluoro-1H-benzimidazol-2-yl)acetate
CID 115926134
methyl 2-cyclopentyl-2-(2,6-dioxo-3,7-dihydropurin-8-yl)acetate
CID 114401865
2-cyclopropyl-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanamine
CID 112735043
1-[1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 82336575
1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol
CID 59682318
2-amino-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanol
CID 66166899
5,6-dimethyl-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole
CID 82336560
methyl (2R)-2-cyclopentyl-2-(4-fluorophenyl)acetate
CID 124640320
tert-butyl N-[cyclopentyl-(6-formyl-5-methoxy-1H-benzimidazol-2-yl)methyl]carbamate
CID 130405254
tert-butyl N-[cyclopentyl-(6-ethenyl-5-methoxy-1H-benzimidazol-2-yl)methyl]carbamate
CID 130405219
methyl 2-cyclopentyl-2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)acetate
CID 115926530
1-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidine-2-carboxylic acid
CID 84614239

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopentyl-2-(5,6-dimethyl-1H-benzimidazol-2-yl)acetate?
The IUPAC name of methyl 2-cyclopentyl-2-(5,6-dimethyl-1H-benzimidazol-2-yl)acetate (CID 115926140) is methyl 2-cyclopentyl-2-(5,6-dimethyl-1H-benzimidazol-2-yl)acetate.
What is the SMILES notation for methyl 2-cyclopentyl-2-(5,6-dimethyl-1H-benzimidazol-2-yl)acetate?
The canonical SMILES for methyl 2-cyclopentyl-2-(5,6-dimethyl-1H-benzimidazol-2-yl)acetate is COC(=O)C(c1nc2cc(C)c(C)cc2[nH]1)C1CCCC1.
What is the InChIKey of methyl 2-cyclopentyl-2-(5,6-dimethyl-1H-benzimidazol-2-yl)acetate?
The InChIKey is JFPVCJKGQKCKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-10-8-13-14(9-11(10)2)19-16(18-13)15(17(20)21-3)12-6-4-5-7-12/h8-9,12,15H,4-7H2,1-3H3,(H,18,19).
What are the key properties of methyl 2-cyclopentyl-2-(5,6-dimethyl-1H-benzimidazol-2-yl)acetate?
methyl 2-cyclopentyl-2-(5,6-dimethyl-1H-benzimidazol-2-yl)acetate has a molecular weight of 286.38 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopentyl-2-(5,6-dimethyl-1H-benzimidazol-2-yl)acetate is sourced from PubChem (CID 115926140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).