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

C20H17ClN4O — CID 46208256

IUPAC2-[1-[2-(2-chloro-3-pyridinyl)-4-pyridinyl]benzimidazol-5-yl]propan-2-ol
SMILESCC(C)(O)c1ccc2c(c1)ncn2-c1ccnc(-c2cccnc2Cl)c1
InChIInChI=1S/C20H17ClN4O/c1-20(2,26)13-5-6-18-17(10-13)24-12-25(18)14-7-9-22-16(11-14)15-4-3-8-23-19(15)21/h3-12,26H,1-2H3
InChIKeyYDTLVCLHQUJXFS-UHFFFAOYSA-N
MW364.84 g/mol
LogP4.36
Rot. Bonds3

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

2-[1-[2-(2-chloro-3-pyridinyl)-4-pyridinyl]benzimidazol-5-yl]propan-2-ol (PubChem CID 46208256) has the molecular formula C20H17ClN4O and a molecular weight of 364.84 g/mol. Its IUPAC name is 2-[1-[2-(2-chloro-3-pyridinyl)-4-pyridinyl]benzimidazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[2-(2-chloro-3-pyridinyl)-4-pyridinyl]benzimidazol-5-yl]propan-2-ol
PubChem CID46208256
Molecular FormulaC20H17ClN4O
Molecular Weight364.84 g/mol
Exact Mass364.11
IUPAC Name2-[1-[2-(2-chloro-3-pyridinyl)-4-pyridinyl]benzimidazol-5-yl]propan-2-ol
SMILESCC(C)(O)c1ccc2c(c1)ncn2-c1ccnc(-c2cccnc2Cl)c1
InChIInChI=1S/C20H17ClN4O/c1-20(2,26)13-5-6-18-17(10-13)24-12-25(18)14-7-9-22-16(11-14)15-4-3-8-23-19(15)21/h3-12,26H,1-2H3
InChIKeyYDTLVCLHQUJXFS-UHFFFAOYSA-N
XLogP4.36
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-chloro-3-pyridinyl)-4-pyridinyl]benzimidazol-5-yl]propan-2-ol?
The IUPAC name of 2-[1-[2-(2-chloro-3-pyridinyl)-4-pyridinyl]benzimidazol-5-yl]propan-2-ol (CID 46208256) is 2-[1-[2-(2-chloro-3-pyridinyl)-4-pyridinyl]benzimidazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[2-(2-chloro-3-pyridinyl)-4-pyridinyl]benzimidazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[1-[2-(2-chloro-3-pyridinyl)-4-pyridinyl]benzimidazol-5-yl]propan-2-ol is CC(C)(O)c1ccc2c(c1)ncn2-c1ccnc(-c2cccnc2Cl)c1.
What is the InChIKey of 2-[1-[2-(2-chloro-3-pyridinyl)-4-pyridinyl]benzimidazol-5-yl]propan-2-ol?
The InChIKey is YDTLVCLHQUJXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O/c1-20(2,26)13-5-6-18-17(10-13)24-12-25(18)14-7-9-22-16(11-14)15-4-3-8-23-19(15)21/h3-12,26H,1-2H3.
What are the key properties of 2-[1-[2-(2-chloro-3-pyridinyl)-4-pyridinyl]benzimidazol-5-yl]propan-2-ol?
2-[1-[2-(2-chloro-3-pyridinyl)-4-pyridinyl]benzimidazol-5-yl]propan-2-ol has a molecular weight of 364.84 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-chloro-3-pyridinyl)-4-pyridinyl]benzimidazol-5-yl]propan-2-ol is sourced from PubChem (CID 46208256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).