ethyl 1-amino-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxylate

C16H21N3O2 — CID 79645933

IUPACethyl 1-amino-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCC(n2c(C)nc3ccccc32)C1
InChIInChI=1S/C16H21N3O2/c1-3-21-15(20)16(17)9-8-12(10-16)19-11(2)18-13-6-4-5-7-14(13)19/h4-7,12H,3,8-10,17H2,1-2H3
InChIKeyLRWDZRJJOMHLID-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.33
Rot. Bonds3

About ethyl 1-amino-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxylate

ethyl 1-amino-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxylate (PubChem CID 79645933) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is ethyl 1-amino-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxylate
PubChem CID79645933
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Nameethyl 1-amino-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCC(n2c(C)nc3ccccc32)C1
InChIInChI=1S/C16H21N3O2/c1-3-21-15(20)16(17)9-8-12(10-16)19-11(2)18-13-6-4-5-7-14(13)19/h4-7,12H,3,8-10,17H2,1-2H3
InChIKeyLRWDZRJJOMHLID-UHFFFAOYSA-N
XLogP2.33
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-3-(2-methylbenzimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 79641857
[1-amino-3-(2-methylbenzimidazol-1-yl)cyclopentyl]methanol
CID 79648173
1-(ethylamino)-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxamide
CID 79645930
ethyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate
CID 79650764
[1-amino-3-(2-methylbenzimidazol-1-yl)cyclohexyl]methanol
CID 79640325
trans-ethyl (1R,2R)-1-cyclohexa-2,4-dien-1-yl-2-[[(1S,5R)-3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methyl]cyclopropane-1-carboxylate
CID 70986516
ethyl 2-(1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate
CID 79472550
ethyl 1-[4-[2-[(1S,5R)-3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidine-1-carbonyl]cyclobutane-1-carboxylate
CID 58727869
ethyl 1-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylate
CID 79472791
1-amino-N-[(1S)-3-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclopentane-1-carboxamide
CID 59075578
cis-(1S,2S)-2-[[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methyl]-1-phenylcyclopropan-1-amine
CID 68881561
ethyl 1-amino-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79650486

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-amino-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxylate (CID 79645933) is ethyl 1-amino-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-amino-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-amino-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxylate is CCOC(=O)C1(N)CCC(n2c(C)nc3ccccc32)C1.
What is the InChIKey of ethyl 1-amino-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxylate?
The InChIKey is LRWDZRJJOMHLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-21-15(20)16(17)9-8-12(10-16)19-11(2)18-13-6-4-5-7-14(13)19/h4-7,12H,3,8-10,17H2,1-2H3.
What are the key properties of ethyl 1-amino-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxylate?
ethyl 1-amino-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 79645933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).