methyl N-[6-[(4-fluorophenyl)-hydroxymethyl]-1H-benzimidazol-2-yl]carbamate

C16H14FN3O3 — CID 10313591

IUPACmethyl N-[6-[(4-fluorophenyl)-hydroxymethyl]-1H-benzimidazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc2ccc(C(O)c3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C16H14FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8,14,21H,1H3,(H2,18,19,20,22)
InChIKeyGONRXGWUUBPRKF-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.96
Rot. Bonds3

About methyl N-[6-[(4-fluorophenyl)-hydroxymethyl]-1H-benzimidazol-2-yl]carbamate

methyl N-[6-[(4-fluorophenyl)-hydroxymethyl]-1H-benzimidazol-2-yl]carbamate (PubChem CID 10313591) has the molecular formula C16H14FN3O3 and a molecular weight of 315.30 g/mol. Its IUPAC name is methyl N-[6-[(4-fluorophenyl)-hydroxymethyl]-1H-benzimidazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-[(4-fluorophenyl)-hydroxymethyl]-1H-benzimidazol-2-yl]carbamate
PubChem CID10313591
Molecular FormulaC16H14FN3O3
Molecular Weight315.30 g/mol
Exact Mass315.10
IUPAC Namemethyl N-[6-[(4-fluorophenyl)-hydroxymethyl]-1H-benzimidazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc2ccc(C(O)c3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C16H14FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8,14,21H,1H3,(H2,18,19,20,22)
InChIKeyGONRXGWUUBPRKF-UHFFFAOYSA-N
XLogP2.96
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze methyl N-[6-[(4-fluorophenyl)-hydroxymethyl]-1H-benzimidazol-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[6-[(4-fluorophenyl)-hydroxymethyl]-1H-benzimidazol-2-yl]carbamate?
The IUPAC name of methyl N-[6-[(4-fluorophenyl)-hydroxymethyl]-1H-benzimidazol-2-yl]carbamate (CID 10313591) is methyl N-[6-[(4-fluorophenyl)-hydroxymethyl]-1H-benzimidazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[6-[(4-fluorophenyl)-hydroxymethyl]-1H-benzimidazol-2-yl]carbamate?
The canonical SMILES for methyl N-[6-[(4-fluorophenyl)-hydroxymethyl]-1H-benzimidazol-2-yl]carbamate is COC(=O)Nc1nc2ccc(C(O)c3ccc(F)cc3)cc2[nH]1.
What is the InChIKey of methyl N-[6-[(4-fluorophenyl)-hydroxymethyl]-1H-benzimidazol-2-yl]carbamate?
The InChIKey is GONRXGWUUBPRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8,14,21H,1H3,(H2,18,19,20,22).
What are the key properties of methyl N-[6-[(4-fluorophenyl)-hydroxymethyl]-1H-benzimidazol-2-yl]carbamate?
methyl N-[6-[(4-fluorophenyl)-hydroxymethyl]-1H-benzimidazol-2-yl]carbamate has a molecular weight of 315.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-[(4-fluorophenyl)-hydroxymethyl]-1H-benzimidazol-2-yl]carbamate is sourced from PubChem (CID 10313591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).