4-chloro-3-[imidazol-1-yl(diphenyl)methyl]pyridine

C21H16ClN3 — CID 14046690

IUPAC4-chloro-3-[imidazol-1-yl(diphenyl)methyl]pyridine
SMILESClc1ccncc1C(c1ccccc1)(c1ccccc1)n1ccnc1
InChIInChI=1S/C21H16ClN3/c22-20-11-12-23-15-19(20)21(25-14-13-24-16-25,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-16H
InChIKeyIATXCBFGKUQBMU-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.77
Rot. Bonds4

About 4-chloro-3-[imidazol-1-yl(diphenyl)methyl]pyridine

4-chloro-3-[imidazol-1-yl(diphenyl)methyl]pyridine (PubChem CID 14046690) has the molecular formula C21H16ClN3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 4-chloro-3-[imidazol-1-yl(diphenyl)methyl]pyridine.

Molecular Properties

Compound Name4-chloro-3-[imidazol-1-yl(diphenyl)methyl]pyridine
PubChem CID14046690
Molecular FormulaC21H16ClN3
Molecular Weight345.83 g/mol
Exact Mass345.10
IUPAC Name4-chloro-3-[imidazol-1-yl(diphenyl)methyl]pyridine
SMILESClc1ccncc1C(c1ccccc1)(c1ccccc1)n1ccnc1
InChIInChI=1S/C21H16ClN3/c22-20-11-12-23-15-19(20)21(25-14-13-24-16-25,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-16H
InChIKeyIATXCBFGKUQBMU-UHFFFAOYSA-N
XLogP4.77
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxyphenyl)-diphenylmethyl]imidazole
CID 54116392
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CID 3401
1-[2-(2-chlorophenyl)propan-2-yl]imidazole
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1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 5013174
1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one;1-[(2-chlorophenyl)-diphenylmethyl]imidazole
CID 174936173
4-tert-butyl-1-[(2-chlorophenyl)-diphenylmethyl]imidazole
CID 164901726
2-imidazol-1-yl-2-phenylpentanoic acid
CID 114994268
1-[(4-chlorophenyl)-(3-methoxyphenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole
CID 69499485
3-(1-tritylimidazol-4-yl)pyridine
CID 90733826
[imidazol-1-yl(diphenyl)methyl]-methyl-prop-2-enylsilane
CID 173368026
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CID 13269114

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[imidazol-1-yl(diphenyl)methyl]pyridine?
The IUPAC name of 4-chloro-3-[imidazol-1-yl(diphenyl)methyl]pyridine (CID 14046690) is 4-chloro-3-[imidazol-1-yl(diphenyl)methyl]pyridine.
What is the SMILES notation for 4-chloro-3-[imidazol-1-yl(diphenyl)methyl]pyridine?
The canonical SMILES for 4-chloro-3-[imidazol-1-yl(diphenyl)methyl]pyridine is Clc1ccncc1C(c1ccccc1)(c1ccccc1)n1ccnc1.
What is the InChIKey of 4-chloro-3-[imidazol-1-yl(diphenyl)methyl]pyridine?
The InChIKey is IATXCBFGKUQBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3/c22-20-11-12-23-15-19(20)21(25-14-13-24-16-25,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-16H.
What are the key properties of 4-chloro-3-[imidazol-1-yl(diphenyl)methyl]pyridine?
4-chloro-3-[imidazol-1-yl(diphenyl)methyl]pyridine has a molecular weight of 345.83 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[imidazol-1-yl(diphenyl)methyl]pyridine is sourced from PubChem (CID 14046690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).