2-[1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylimidazol-4-yl]propan-2-ol

C18H17Cl2N3O — CID 141496313

IUPAC2-[1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylimidazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(Cc2cc(Cl)ccc2Cl)c(-c2cccnc2)n1
InChIInChI=1S/C18H17Cl2N3O/c1-18(2,24)16-11-23(10-13-8-14(19)5-6-15(13)20)17(22-16)12-4-3-7-21-9-12/h3-9,11,24H,10H2,1-2H3
InChIKeyCVDTWLGFKZENAC-UHFFFAOYSA-N
MW362.26 g/mol
LogP4.53
Rot. Bonds4

About 2-[1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylimidazol-4-yl]propan-2-ol

2-[1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylimidazol-4-yl]propan-2-ol (PubChem CID 141496313) has the molecular formula C18H17Cl2N3O and a molecular weight of 362.26 g/mol. Its IUPAC name is 2-[1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylimidazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylimidazol-4-yl]propan-2-ol
PubChem CID141496313
Molecular FormulaC18H17Cl2N3O
Molecular Weight362.26 g/mol
Exact Mass361.07
IUPAC Name2-[1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylimidazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(Cc2cc(Cl)ccc2Cl)c(-c2cccnc2)n1
InChIInChI=1S/C18H17Cl2N3O/c1-18(2,24)16-11-23(10-13-8-14(19)5-6-15(13)20)17(22-16)12-4-3-7-21-9-12/h3-9,11,24H,10H2,1-2H3
InChIKeyCVDTWLGFKZENAC-UHFFFAOYSA-N
XLogP4.53
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[(3-chloro-5-fluorophenyl)methyl]-4-methylimidazol-2-yl]pyridine
CID 118416853
3-[1-[(2,5-dichlorophenyl)methyl]-5-(2H-tetrazol-5-yl)imidazol-2-yl]pyridine
CID 118416865
3-[1-[(2-chloro-5-methylphenyl)methyl]-4,5-dimethylimidazol-2-yl]pyridine;cyclopropane
CID 144627667
3-[(2,5-dichlorophenyl)methyl]pyridine
CID 102311529
3-(4-chloro-2-methylphenyl)pyridine
CID 46317046
8-[(2,5-dichlorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 66557401
5-chloro-1-methyl-2-pyridin-3-ylbenzimidazole
CID 10966745
3-[(2,5-dichlorophenyl)methyl]-5-methyl-2-(5-methylsulfonyl-3-pyridinyl)imidazole-4-carboxylic acid
CID 118428185
3-[1-[(Z)-but-2-enyl]-4-(trifluoromethyl)imidazol-2-yl]pyridine;ethane;(E)-prop-1-ene-1-thiol
CID 142958933
2-[1-[(2,5-dichlorophenyl)methyl]-4-methylimidazol-2-yl]oxypyridine
CID 118416927
2-(2-chloro-5-pyridin-3-ylphenyl)acetic acid
CID 166638918
3-[5-[(1R)-1-(2,4-dichlorophenyl)ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]pyridine
CID 94585232

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylimidazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylimidazol-4-yl]propan-2-ol (CID 141496313) is 2-[1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylimidazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylimidazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylimidazol-4-yl]propan-2-ol is CC(C)(O)c1cn(Cc2cc(Cl)ccc2Cl)c(-c2cccnc2)n1.
What is the InChIKey of 2-[1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylimidazol-4-yl]propan-2-ol?
The InChIKey is CVDTWLGFKZENAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O/c1-18(2,24)16-11-23(10-13-8-14(19)5-6-15(13)20)17(22-16)12-4-3-7-21-9-12/h3-9,11,24H,10H2,1-2H3.
What are the key properties of 2-[1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylimidazol-4-yl]propan-2-ol?
2-[1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylimidazol-4-yl]propan-2-ol has a molecular weight of 362.26 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylimidazol-4-yl]propan-2-ol is sourced from PubChem (CID 141496313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).