6-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2-pyridin-3-yl-1H-benzimidazole

C22H16FN5 — CID 14518535

IUPAC6-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2-pyridin-3-yl-1H-benzimidazole
SMILESFc1ccc(C(c2ccc3nc(-c4cccnc4)[nH]c3c2)n2ccnc2)cc1
InChIInChI=1S/C22H16FN5/c23-18-6-3-15(4-7-18)21(28-11-10-25-14-28)16-5-8-19-20(12-16)27-22(26-19)17-2-1-9-24-13-17/h1-14,21H,(H,26,27)
InChIKeyWSKOYWUKOOPKFA-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.60
Rot. Bonds4

About 6-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2-pyridin-3-yl-1H-benzimidazole

6-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2-pyridin-3-yl-1H-benzimidazole (PubChem CID 14518535) has the molecular formula C22H16FN5 and a molecular weight of 369.40 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2-pyridin-3-yl-1H-benzimidazole.

Molecular Properties

Compound Name6-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2-pyridin-3-yl-1H-benzimidazole
PubChem CID14518535
Molecular FormulaC22H16FN5
Molecular Weight369.40 g/mol
Exact Mass369.14
IUPAC Name6-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2-pyridin-3-yl-1H-benzimidazole
SMILESFc1ccc(C(c2ccc3nc(-c4cccnc4)[nH]c3c2)n2ccnc2)cc1
InChIInChI=1S/C22H16FN5/c23-18-6-3-15(4-7-18)21(28-11-10-25-14-28)16-5-8-19-20(12-16)27-22(26-19)17-2-1-9-24-13-17/h1-14,21H,(H,26,27)
InChIKeyWSKOYWUKOOPKFA-UHFFFAOYSA-N
XLogP4.60
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2-pyridin-3-yl-1H-benzimidazole 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 6-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2-pyridin-3-yl-1H-benzimidazole?
The IUPAC name of 6-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2-pyridin-3-yl-1H-benzimidazole (CID 14518535) is 6-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2-pyridin-3-yl-1H-benzimidazole.
What is the SMILES notation for 6-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2-pyridin-3-yl-1H-benzimidazole?
The canonical SMILES for 6-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2-pyridin-3-yl-1H-benzimidazole is Fc1ccc(C(c2ccc3nc(-c4cccnc4)[nH]c3c2)n2ccnc2)cc1.
What is the InChIKey of 6-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2-pyridin-3-yl-1H-benzimidazole?
The InChIKey is WSKOYWUKOOPKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5/c23-18-6-3-15(4-7-18)21(28-11-10-25-14-28)16-5-8-19-20(12-16)27-22(26-19)17-2-1-9-24-13-17/h1-14,21H,(H,26,27).
What are the key properties of 6-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2-pyridin-3-yl-1H-benzimidazole?
6-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2-pyridin-3-yl-1H-benzimidazole has a molecular weight of 369.40 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2-pyridin-3-yl-1H-benzimidazole is sourced from PubChem (CID 14518535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).