methyl 2-(5-chloro-1-methylbenzimidazol-2-yl)-2-cyclopentylacetate

C16H19ClN2O2 — CID 115926131

IUPACmethyl 2-(5-chloro-1-methylbenzimidazol-2-yl)-2-cyclopentylacetate
SMILESCOC(=O)C(c1nc2cc(Cl)ccc2n1C)C1CCCC1
InChIInChI=1S/C16H19ClN2O2/c1-19-13-8-7-11(17)9-12(13)18-15(19)14(16(20)21-2)10-5-3-4-6-10/h7-10,14H,3-6H2,1-2H3
InChIKeySYPOQVWRMHMWFM-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.67
Rot. Bonds3

About methyl 2-(5-chloro-1-methylbenzimidazol-2-yl)-2-cyclopentylacetate

methyl 2-(5-chloro-1-methylbenzimidazol-2-yl)-2-cyclopentylacetate (PubChem CID 115926131) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is methyl 2-(5-chloro-1-methylbenzimidazol-2-yl)-2-cyclopentylacetate.

Molecular Properties

Compound Namemethyl 2-(5-chloro-1-methylbenzimidazol-2-yl)-2-cyclopentylacetate
PubChem CID115926131
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Namemethyl 2-(5-chloro-1-methylbenzimidazol-2-yl)-2-cyclopentylacetate
SMILESCOC(=O)C(c1nc2cc(Cl)ccc2n1C)C1CCCC1
InChIInChI=1S/C16H19ClN2O2/c1-19-13-8-7-11(17)9-12(13)18-15(19)14(16(20)21-2)10-5-3-4-6-10/h7-10,14H,3-6H2,1-2H3
InChIKeySYPOQVWRMHMWFM-UHFFFAOYSA-N
XLogP3.67
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-1-methylbenzimidazol-2-yl)-2,3-dihydroxypropanoic acid
CID 54772628
methyl (2R)-2-(4-chlorophenyl)-2-cycloheptylacetate
CID 15317241
methyl (2S,3aS,7aR)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 124815127
(5-chloro-1-ethylbenzimidazol-2-yl)-cyclohexylmethanamine
CID 61015427
N-cyclopentyl-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide
CID 110765952
(6-chloro-1-methylbenzimidazol-2-yl)-cyclopropylmethanamine
CID 115472454
methyl (2R)-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexylacetate
CID 66619490
(5-chloro-1-methylbenzimidazol-2-yl)-phenylmethanamine
CID 54920059
5-chloro-1-(1-cyclohexylethyl)benzimidazol-2-amine
CID 63546409
5-chloro-2-(1-chloroethyl)-1-(2-cyclopentyloxyethyl)benzimidazole
CID 63827040
1-cyclopentyl-3-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)urea
CID 110774752
(3S)-N-(5-chloro-1-methylbenzimidazol-2-yl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 52519571

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-chloro-1-methylbenzimidazol-2-yl)-2-cyclopentylacetate?
The IUPAC name of methyl 2-(5-chloro-1-methylbenzimidazol-2-yl)-2-cyclopentylacetate (CID 115926131) is methyl 2-(5-chloro-1-methylbenzimidazol-2-yl)-2-cyclopentylacetate.
What is the SMILES notation for methyl 2-(5-chloro-1-methylbenzimidazol-2-yl)-2-cyclopentylacetate?
The canonical SMILES for methyl 2-(5-chloro-1-methylbenzimidazol-2-yl)-2-cyclopentylacetate is COC(=O)C(c1nc2cc(Cl)ccc2n1C)C1CCCC1.
What is the InChIKey of methyl 2-(5-chloro-1-methylbenzimidazol-2-yl)-2-cyclopentylacetate?
The InChIKey is SYPOQVWRMHMWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-19-13-8-7-11(17)9-12(13)18-15(19)14(16(20)21-2)10-5-3-4-6-10/h7-10,14H,3-6H2,1-2H3.
What are the key properties of methyl 2-(5-chloro-1-methylbenzimidazol-2-yl)-2-cyclopentylacetate?
methyl 2-(5-chloro-1-methylbenzimidazol-2-yl)-2-cyclopentylacetate has a molecular weight of 306.79 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-chloro-1-methylbenzimidazol-2-yl)-2-cyclopentylacetate is sourced from PubChem (CID 115926131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).