ethyl N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]carbamate

C18H18FN3O2 — CID 18590004

IUPACethyl N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]carbamate
SMILESCCOC(=O)NCc1nc2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C18H18FN3O2/c1-2-24-18(23)20-11-17-21-15-9-5-6-10-16(15)22(17)12-13-7-3-4-8-14(13)19/h3-10H,2,11-12H2,1H3,(H,20,23)
InChIKeyLZPRNIBENJGWGM-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.47
Rot. Bonds5

About ethyl N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]carbamate

ethyl N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]carbamate (PubChem CID 18590004) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is ethyl N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]carbamate
PubChem CID18590004
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Nameethyl N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]carbamate
SMILESCCOC(=O)NCc1nc2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C18H18FN3O2/c1-2-24-18(23)20-11-17-21-15-9-5-6-10-16(15)22(17)12-13-7-3-4-8-14(13)19/h3-10H,2,11-12H2,1H3,(H,20,23)
InChIKeyLZPRNIBENJGWGM-UHFFFAOYSA-N
XLogP3.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]carbamate?
The IUPAC name of ethyl N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]carbamate (CID 18590004) is ethyl N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]carbamate.
What is the SMILES notation for ethyl N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]carbamate?
The canonical SMILES for ethyl N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]carbamate is CCOC(=O)NCc1nc2ccccc2n1Cc1ccccc1F.
What is the InChIKey of ethyl N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]carbamate?
The InChIKey is LZPRNIBENJGWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-2-24-18(23)20-11-17-21-15-9-5-6-10-16(15)22(17)12-13-7-3-4-8-14(13)19/h3-10H,2,11-12H2,1H3,(H,20,23).
What are the key properties of ethyl N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]carbamate?
ethyl N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]carbamate has a molecular weight of 327.36 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]carbamate is sourced from PubChem (CID 18590004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).