ethyl 2-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate

C16H19ClN2O2 — CID 79482795

IUPACethyl 2-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1nc2cc(Cl)ccc2n1C1CC1
InChIInChI=1S/C16H19ClN2O2/c1-4-21-15(20)16(2,3)14-18-12-9-10(17)5-8-13(12)19(14)11-6-7-11/h5,8-9,11H,4,6-7H2,1-3H3
InChIKeyKHUJSXAQNVUESW-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.87
Rot. Bonds4

About ethyl 2-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate

ethyl 2-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate (PubChem CID 79482795) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is ethyl 2-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate
PubChem CID79482795
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Nameethyl 2-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1nc2cc(Cl)ccc2n1C1CC1
InChIInChI=1S/C16H19ClN2O2/c1-4-21-15(20)16(2,3)14-18-12-9-10(17)5-8-13(12)19(14)11-6-7-11/h5,8-9,11H,4,6-7H2,1-3H3
InChIKeyKHUJSXAQNVUESW-UHFFFAOYSA-N
XLogP3.87
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate
CID 79472550
ethyl 2-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-2-methylpropanoate
CID 79471203
1-amino-3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-2-ol
CID 66003739
3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-amine
CID 60785360
ethyl 2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)acetate
CID 79475112
4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylphenol
CID 136750867
4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3,3-dimethylbutanoic acid
CID 115472319
6-(5-chloro-1-cyclopropylbenzimidazol-2-yl)hexan-1-amine
CID 60783944
4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 60785041
2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
CID 115473334
1-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-N-ethylpropan-2-amine
CID 62827796
5-chloro-2-(4-chlorobutyl)-1-cyclopropylbenzimidazole
CID 54919972

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate?
The IUPAC name of ethyl 2-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate (CID 79482795) is ethyl 2-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate is CCOC(=O)C(C)(C)c1nc2cc(Cl)ccc2n1C1CC1.
What is the InChIKey of ethyl 2-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate?
The InChIKey is KHUJSXAQNVUESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-4-21-15(20)16(2,3)14-18-12-9-10(17)5-8-13(12)19(14)11-6-7-11/h5,8-9,11H,4,6-7H2,1-3H3.
What are the key properties of ethyl 2-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate?
ethyl 2-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate has a molecular weight of 306.79 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate is sourced from PubChem (CID 79482795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).