ethyl 1-(1-ethylbenzimidazol-2-yl)cyclobutane-1-carboxylate

C16H20N2O2 — CID 79472376

IUPACethyl 1-(1-ethylbenzimidazol-2-yl)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(c2nc3ccccc3n2CC)CCC1
InChIInChI=1S/C16H20N2O2/c1-3-18-13-9-6-5-8-12(13)17-14(18)16(10-7-11-16)15(19)20-4-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3
InChIKeyPNMVSBMPIWDBLV-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.04
Rot. Bonds4

About ethyl 1-(1-ethylbenzimidazol-2-yl)cyclobutane-1-carboxylate

ethyl 1-(1-ethylbenzimidazol-2-yl)cyclobutane-1-carboxylate (PubChem CID 79472376) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is ethyl 1-(1-ethylbenzimidazol-2-yl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-ethylbenzimidazol-2-yl)cyclobutane-1-carboxylate
PubChem CID79472376
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Nameethyl 1-(1-ethylbenzimidazol-2-yl)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(c2nc3ccccc3n2CC)CCC1
InChIInChI=1S/C16H20N2O2/c1-3-18-13-9-6-5-8-12(13)17-14(18)16(10-7-11-16)15(19)20-4-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3
InChIKeyPNMVSBMPIWDBLV-UHFFFAOYSA-N
XLogP3.04
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[1-(2-hydroxyethyl)benzimidazol-2-yl]cyclopropane-1-carboxylate
CID 79471720
ethyl 1-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylate
CID 79472791
ethyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate
CID 79471310
methyl 1-[1-(2-hydroxyethyl)benzimidazol-2-yl]cyclopropane-1-carboxylate
CID 79734378
ethyl 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylate
CID 79472710
ethyl 1-(5-bromo-1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylate
CID 79480039
2-(1-ethylbenzimidazol-2-yl)-2-methylcyclopentan-1-amine
CID 82762313
1-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 119866200
2-(1-ethylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine
CID 83214231
ethyl 1-(1,5-dimethylbenzimidazol-2-yl)cyclopropane-1-carboxylate
CID 79471719
ethyl 1-(1,3-benzothiazol-2-yl)cycloheptane-1-carboxylate
CID 79480839
bis(1-ethylbenzimidazol-2-yl)methanone
CID 22887473

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-ethylbenzimidazol-2-yl)cyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-(1-ethylbenzimidazol-2-yl)cyclobutane-1-carboxylate (CID 79472376) is ethyl 1-(1-ethylbenzimidazol-2-yl)cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-(1-ethylbenzimidazol-2-yl)cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-(1-ethylbenzimidazol-2-yl)cyclobutane-1-carboxylate is CCOC(=O)C1(c2nc3ccccc3n2CC)CCC1.
What is the InChIKey of ethyl 1-(1-ethylbenzimidazol-2-yl)cyclobutane-1-carboxylate?
The InChIKey is PNMVSBMPIWDBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-18-13-9-6-5-8-12(13)17-14(18)16(10-7-11-16)15(19)20-4-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3.
What are the key properties of ethyl 1-(1-ethylbenzimidazol-2-yl)cyclobutane-1-carboxylate?
ethyl 1-(1-ethylbenzimidazol-2-yl)cyclobutane-1-carboxylate has a molecular weight of 272.35 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-ethylbenzimidazol-2-yl)cyclobutane-1-carboxylate is sourced from PubChem (CID 79472376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).