2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbonitrile

C21H17F2N5 — CID 22379972

IUPAC2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbonitrile
SMILESCCCn1c(Cn2ccnc2-c2cc(F)ccc2F)nc2cc(C#N)ccc21
InChIInChI=1S/C21H17F2N5/c1-2-8-28-19-6-3-14(12-24)10-18(19)26-20(28)13-27-9-7-25-21(27)16-11-15(22)4-5-17(16)23/h3-7,9-11H,2,8,13H2,1H3
InChIKeyPOIHGDWKUYGCPN-UHFFFAOYSA-N
MW377.40 g/mol
LogP4.51
Rot. Bonds5

About 2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbonitrile

2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbonitrile (PubChem CID 22379972) has the molecular formula C21H17F2N5 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbonitrile
PubChem CID22379972
Molecular FormulaC21H17F2N5
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbonitrile
SMILESCCCn1c(Cn2ccnc2-c2cc(F)ccc2F)nc2cc(C#N)ccc21
InChIInChI=1S/C21H17F2N5/c1-2-8-28-19-6-3-14(12-24)10-18(19)26-20(28)13-27-9-7-25-21(27)16-11-15(22)4-5-17(16)23/h3-7,9-11H,2,8,13H2,1H3
InChIKeyPOIHGDWKUYGCPN-UHFFFAOYSA-N
XLogP4.51
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-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 2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbonitrile (CID 22379972) is 2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbonitrile is CCCn1c(Cn2ccnc2-c2cc(F)ccc2F)nc2cc(C#N)ccc21.
What is the InChIKey of 2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbonitrile?
The InChIKey is POIHGDWKUYGCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5/c1-2-8-28-19-6-3-14(12-24)10-18(19)26-20(28)13-27-9-7-25-21(27)16-11-15(22)4-5-17(16)23/h3-7,9-11H,2,8,13H2,1H3.
What are the key properties of 2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbonitrile?
2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbonitrile has a molecular weight of 377.40 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 22379972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).