2-[1-[3-(3-chloro-4-pyridinyl)-4-fluorophenyl]benzimidazol-5-yl]propan-2-ol

C21H17ClFN3O — CID 46205358

IUPAC2-[1-[3-(3-chloro-4-pyridinyl)-4-fluorophenyl]benzimidazol-5-yl]propan-2-ol
SMILESCC(C)(O)c1ccc2c(c1)ncn2-c1ccc(F)c(-c2ccncc2Cl)c1
InChIInChI=1S/C21H17ClFN3O/c1-21(2,27)13-3-6-20-19(9-13)25-12-26(20)14-4-5-18(23)16(10-14)15-7-8-24-11-17(15)22/h3-12,27H,1-2H3
InChIKeyBCJUNMJDGDTVKE-UHFFFAOYSA-N
MW381.84 g/mol
LogP5.11
Rot. Bonds3

About 2-[1-[3-(3-chloro-4-pyridinyl)-4-fluorophenyl]benzimidazol-5-yl]propan-2-ol

2-[1-[3-(3-chloro-4-pyridinyl)-4-fluorophenyl]benzimidazol-5-yl]propan-2-ol (PubChem CID 46205358) has the molecular formula C21H17ClFN3O and a molecular weight of 381.84 g/mol. Its IUPAC name is 2-[1-[3-(3-chloro-4-pyridinyl)-4-fluorophenyl]benzimidazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[3-(3-chloro-4-pyridinyl)-4-fluorophenyl]benzimidazol-5-yl]propan-2-ol
PubChem CID46205358
Molecular FormulaC21H17ClFN3O
Molecular Weight381.84 g/mol
Exact Mass381.10
IUPAC Name2-[1-[3-(3-chloro-4-pyridinyl)-4-fluorophenyl]benzimidazol-5-yl]propan-2-ol
SMILESCC(C)(O)c1ccc2c(c1)ncn2-c1ccc(F)c(-c2ccncc2Cl)c1
InChIInChI=1S/C21H17ClFN3O/c1-21(2,27)13-3-6-20-19(9-13)25-12-26(20)14-4-5-18(23)16(10-14)15-7-8-24-11-17(15)22/h3-12,27H,1-2H3
InChIKeyBCJUNMJDGDTVKE-UHFFFAOYSA-N
XLogP5.11
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.84
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[3-(3-chloro-4-pyridinyl)-4-fluorophenyl]benzimidazol-5-yl]propan-2-ol 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-[1-[3-(3-chloro-4-pyridinyl)-4-fluorophenyl]benzimidazol-5-yl]propan-2-ol?
The IUPAC name of 2-[1-[3-(3-chloro-4-pyridinyl)-4-fluorophenyl]benzimidazol-5-yl]propan-2-ol (CID 46205358) is 2-[1-[3-(3-chloro-4-pyridinyl)-4-fluorophenyl]benzimidazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[3-(3-chloro-4-pyridinyl)-4-fluorophenyl]benzimidazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[1-[3-(3-chloro-4-pyridinyl)-4-fluorophenyl]benzimidazol-5-yl]propan-2-ol is CC(C)(O)c1ccc2c(c1)ncn2-c1ccc(F)c(-c2ccncc2Cl)c1.
What is the InChIKey of 2-[1-[3-(3-chloro-4-pyridinyl)-4-fluorophenyl]benzimidazol-5-yl]propan-2-ol?
The InChIKey is BCJUNMJDGDTVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O/c1-21(2,27)13-3-6-20-19(9-13)25-12-26(20)14-4-5-18(23)16(10-14)15-7-8-24-11-17(15)22/h3-12,27H,1-2H3.
What are the key properties of 2-[1-[3-(3-chloro-4-pyridinyl)-4-fluorophenyl]benzimidazol-5-yl]propan-2-ol?
2-[1-[3-(3-chloro-4-pyridinyl)-4-fluorophenyl]benzimidazol-5-yl]propan-2-ol has a molecular weight of 381.84 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(3-chloro-4-pyridinyl)-4-fluorophenyl]benzimidazol-5-yl]propan-2-ol is sourced from PubChem (CID 46205358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).