3-[[2-(1-fluoroethoxy)phenyl]methyl]-2-[(5-morpholin-4-yltetrazol-2-yl)methyl]benzimidazole-5-carbonitrile

C23H23FN8O2 — CID 147464482

IUPAC3-[[2-(1-fluoroethoxy)phenyl]methyl]-2-[(5-morpholin-4-yltetrazol-2-yl)methyl]benzimidazole-5-carbonitrile
SMILESCC(F)Oc1ccccc1Cn1c(Cn2nnc(N3CCOCC3)n2)nc2ccc(C#N)cc21
InChIInChI=1S/C23H23FN8O2/c1-16(24)34-21-5-3-2-4-18(21)14-31-20-12-17(13-25)6-7-19(20)26-22(31)15-32-28-23(27-29-32)30-8-10-33-11-9-30/h2-7,12,16H,8-11,14-15H2,1H3
InChIKeyFAOHPTQEHHYXQX-UHFFFAOYSA-N
MW462.49 g/mol
LogP2.52
Rot. Bonds7

About 3-[[2-(1-fluoroethoxy)phenyl]methyl]-2-[(5-morpholin-4-yltetrazol-2-yl)methyl]benzimidazole-5-carbonitrile

3-[[2-(1-fluoroethoxy)phenyl]methyl]-2-[(5-morpholin-4-yltetrazol-2-yl)methyl]benzimidazole-5-carbonitrile (PubChem CID 147464482) has the molecular formula C23H23FN8O2 and a molecular weight of 462.49 g/mol. Its IUPAC name is 3-[[2-(1-fluoroethoxy)phenyl]methyl]-2-[(5-morpholin-4-yltetrazol-2-yl)methyl]benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name3-[[2-(1-fluoroethoxy)phenyl]methyl]-2-[(5-morpholin-4-yltetrazol-2-yl)methyl]benzimidazole-5-carbonitrile
PubChem CID147464482
Molecular FormulaC23H23FN8O2
Molecular Weight462.49 g/mol
Exact Mass462.19
IUPAC Name3-[[2-(1-fluoroethoxy)phenyl]methyl]-2-[(5-morpholin-4-yltetrazol-2-yl)methyl]benzimidazole-5-carbonitrile
SMILESCC(F)Oc1ccccc1Cn1c(Cn2nnc(N3CCOCC3)n2)nc2ccc(C#N)cc21
InChIInChI=1S/C23H23FN8O2/c1-16(24)34-21-5-3-2-4-18(21)14-31-20-12-17(13-25)6-7-19(20)26-22(31)15-32-28-23(27-29-32)30-8-10-33-11-9-30/h2-7,12,16H,8-11,14-15H2,1H3
InChIKeyFAOHPTQEHHYXQX-UHFFFAOYSA-N
XLogP2.52
TPSA106.91 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-[[2-(1-fluoroethoxy)phenyl]methyl]-2-[(5-morpholin-4-yltetrazol-2-yl)methyl]benzimidazole-5-carbonitrile 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 3-[[2-(1-fluoroethoxy)phenyl]methyl]-2-[(5-morpholin-4-yltetrazol-2-yl)methyl]benzimidazole-5-carbonitrile?
The IUPAC name of 3-[[2-(1-fluoroethoxy)phenyl]methyl]-2-[(5-morpholin-4-yltetrazol-2-yl)methyl]benzimidazole-5-carbonitrile (CID 147464482) is 3-[[2-(1-fluoroethoxy)phenyl]methyl]-2-[(5-morpholin-4-yltetrazol-2-yl)methyl]benzimidazole-5-carbonitrile.
What is the SMILES notation for 3-[[2-(1-fluoroethoxy)phenyl]methyl]-2-[(5-morpholin-4-yltetrazol-2-yl)methyl]benzimidazole-5-carbonitrile?
The canonical SMILES for 3-[[2-(1-fluoroethoxy)phenyl]methyl]-2-[(5-morpholin-4-yltetrazol-2-yl)methyl]benzimidazole-5-carbonitrile is CC(F)Oc1ccccc1Cn1c(Cn2nnc(N3CCOCC3)n2)nc2ccc(C#N)cc21.
What is the InChIKey of 3-[[2-(1-fluoroethoxy)phenyl]methyl]-2-[(5-morpholin-4-yltetrazol-2-yl)methyl]benzimidazole-5-carbonitrile?
The InChIKey is FAOHPTQEHHYXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN8O2/c1-16(24)34-21-5-3-2-4-18(21)14-31-20-12-17(13-25)6-7-19(20)26-22(31)15-32-28-23(27-29-32)30-8-10-33-11-9-30/h2-7,12,16H,8-11,14-15H2,1H3.
What are the key properties of 3-[[2-(1-fluoroethoxy)phenyl]methyl]-2-[(5-morpholin-4-yltetrazol-2-yl)methyl]benzimidazole-5-carbonitrile?
3-[[2-(1-fluoroethoxy)phenyl]methyl]-2-[(5-morpholin-4-yltetrazol-2-yl)methyl]benzimidazole-5-carbonitrile has a molecular weight of 462.49 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-fluoroethoxy)phenyl]methyl]-2-[(5-morpholin-4-yltetrazol-2-yl)methyl]benzimidazole-5-carbonitrile is sourced from PubChem (CID 147464482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).