ethyl N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylcarbamate

C19H19ClFN3O2 — CID 18590008

IUPACethyl N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)Cc1nc2ccccc2n1Cc1c(F)cccc1Cl
InChIInChI=1S/C19H19ClFN3O2/c1-3-26-19(25)23(2)12-18-22-16-9-4-5-10-17(16)24(18)11-13-14(20)7-6-8-15(13)21/h4-10H,3,11-12H2,1-2H3
InChIKeyQNKHXMMOSATJLT-UHFFFAOYSA-N
MW375.83 g/mol
LogP4.47
Rot. Bonds5

About ethyl N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylcarbamate

ethyl N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylcarbamate (PubChem CID 18590008) has the molecular formula C19H19ClFN3O2 and a molecular weight of 375.83 g/mol. Its IUPAC name is ethyl N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylcarbamate
PubChem CID18590008
Molecular FormulaC19H19ClFN3O2
Molecular Weight375.83 g/mol
Exact Mass375.11
IUPAC Nameethyl N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)Cc1nc2ccccc2n1Cc1c(F)cccc1Cl
InChIInChI=1S/C19H19ClFN3O2/c1-3-26-19(25)23(2)12-18-22-16-9-4-5-10-17(16)24(18)11-13-14(20)7-6-8-15(13)21/h4-10H,3,11-12H2,1-2H3
InChIKeyQNKHXMMOSATJLT-UHFFFAOYSA-N
XLogP4.47
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.83
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylcarbamate?
The IUPAC name of ethyl N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylcarbamate (CID 18590008) is ethyl N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for ethyl N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylcarbamate?
The canonical SMILES for ethyl N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylcarbamate is CCOC(=O)N(C)Cc1nc2ccccc2n1Cc1c(F)cccc1Cl.
What is the InChIKey of ethyl N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylcarbamate?
The InChIKey is QNKHXMMOSATJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O2/c1-3-26-19(25)23(2)12-18-22-16-9-4-5-10-17(16)24(18)11-13-14(20)7-6-8-15(13)21/h4-10H,3,11-12H2,1-2H3.
What are the key properties of ethyl N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylcarbamate?
ethyl N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylcarbamate has a molecular weight of 375.83 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 18590008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).