ethyl 2-(1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate

C16H20N2O2 — CID 79472550

IUPACethyl 2-(1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1nc2ccccc2n1C1CC1
InChIInChI=1S/C16H20N2O2/c1-4-20-15(19)16(2,3)14-17-12-7-5-6-8-13(12)18(14)11-9-10-11/h5-8,11H,4,9-10H2,1-3H3
InChIKeyUJBQNZIYRVLLNS-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.21
Rot. Bonds4

About ethyl 2-(1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate

ethyl 2-(1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate (PubChem CID 79472550) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is ethyl 2-(1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate
PubChem CID79472550
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Nameethyl 2-(1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1nc2ccccc2n1C1CC1
InChIInChI=1S/C16H20N2O2/c1-4-20-15(19)16(2,3)14-17-12-7-5-6-8-13(12)18(14)11-9-10-11/h5-8,11H,4,9-10H2,1-3H3
InChIKeyUJBQNZIYRVLLNS-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-2-methylpropanoate
CID 79471203
ethyl 2-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate
CID 79482795
ethyl 2-(1,7-dimethylbenzimidazol-2-yl)-2-methylpropanoate
CID 81455583
ethyl 1-amino-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxylate
CID 79645933
ethyl 2,2-dimethyl-3-[4-[2-[(1R,5S)-3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-3-oxopropanoate
CID 58728322
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 110712110
1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-3-propylurea
CID 110747246
ethyl 2-methyl-2-(3-propylimidazo[4,5-b]pyridin-2-yl)propanoate
CID 79471291
ethyl 4-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-oxoquinoxaline-2-carboxylate
CID 59450913
2-(1-cyclopropylbenzimidazol-2-yl)-2,2-difluoroacetonitrile
CID 119054488
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 110712126
ethyl 3-oxo-4-[(1R,5S)-8-(4-prop-1-en-2-ylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-yl]quinoxaline-2-carboxylate
CID 146239001

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate?
The IUPAC name of ethyl 2-(1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate (CID 79472550) is ethyl 2-(1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate is CCOC(=O)C(C)(C)c1nc2ccccc2n1C1CC1.
What is the InChIKey of ethyl 2-(1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate?
The InChIKey is UJBQNZIYRVLLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-20-15(19)16(2,3)14-17-12-7-5-6-8-13(12)18(14)11-9-10-11/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of ethyl 2-(1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate?
ethyl 2-(1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate has a molecular weight of 272.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate is sourced from PubChem (CID 79472550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).