methyl 1-[1-(2-hydroxyethyl)benzimidazol-2-yl]cyclopropane-1-carboxylate

C14H16N2O3 — CID 79734378

IUPACmethyl 1-[1-(2-hydroxyethyl)benzimidazol-2-yl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2nc3ccccc3n2CCO)CC1
InChIInChI=1S/C14H16N2O3/c1-19-13(18)14(6-7-14)12-15-10-4-2-3-5-11(10)16(12)8-9-17/h2-5,17H,6-9H2,1H3
InChIKeySUAKMEFVEMPRTM-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.23
Rot. Bonds4

About methyl 1-[1-(2-hydroxyethyl)benzimidazol-2-yl]cyclopropane-1-carboxylate

methyl 1-[1-(2-hydroxyethyl)benzimidazol-2-yl]cyclopropane-1-carboxylate (PubChem CID 79734378) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 1-[1-(2-hydroxyethyl)benzimidazol-2-yl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-(2-hydroxyethyl)benzimidazol-2-yl]cyclopropane-1-carboxylate
PubChem CID79734378
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Namemethyl 1-[1-(2-hydroxyethyl)benzimidazol-2-yl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2nc3ccccc3n2CCO)CC1
InChIInChI=1S/C14H16N2O3/c1-19-13(18)14(6-7-14)12-15-10-4-2-3-5-11(10)16(12)8-9-17/h2-5,17H,6-9H2,1H3
InChIKeySUAKMEFVEMPRTM-UHFFFAOYSA-N
XLogP1.23
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-ethylbenzimidazol-2-yl)cyclobutane-1-carboxylate
CID 79472376
1-[1-(2-hydroxyethyl)benzimidazol-2-yl]ethanone
CID 12515570
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
methyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate
CID 79733660
methyl 1-(1-bromoimidazo[1,5-a]pyridin-3-yl)cyclopropane-1-carboxylate
CID 116984907
[1-[1-(2-methoxyethyl)benzimidazol-2-yl]cyclopropyl]methanamine
CID 115450576
ethyl 1-(5-bromo-1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylate
CID 79480039
3-chloro-1-(2-hydroxyethyl)quinoxalin-2-one;ethane
CID 143080552
2-[2-(2-amino-1-methoxyethyl)benzimidazol-1-yl]ethanol
CID 106108732
2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol
CID 174213303

Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-(2-hydroxyethyl)benzimidazol-2-yl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[1-(2-hydroxyethyl)benzimidazol-2-yl]cyclopropane-1-carboxylate (CID 79734378) is methyl 1-[1-(2-hydroxyethyl)benzimidazol-2-yl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[1-(2-hydroxyethyl)benzimidazol-2-yl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[1-(2-hydroxyethyl)benzimidazol-2-yl]cyclopropane-1-carboxylate is COC(=O)C1(c2nc3ccccc3n2CCO)CC1.
What is the InChIKey of methyl 1-[1-(2-hydroxyethyl)benzimidazol-2-yl]cyclopropane-1-carboxylate?
The InChIKey is SUAKMEFVEMPRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-19-13(18)14(6-7-14)12-15-10-4-2-3-5-11(10)16(12)8-9-17/h2-5,17H,6-9H2,1H3.
What are the key properties of methyl 1-[1-(2-hydroxyethyl)benzimidazol-2-yl]cyclopropane-1-carboxylate?
methyl 1-[1-(2-hydroxyethyl)benzimidazol-2-yl]cyclopropane-1-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-(2-hydroxyethyl)benzimidazol-2-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 79734378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).