2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]-4-(4-iodo-3H-pyrazol-5-yl)pyridine

C18H12Cl2IN5 — CID 145046302

IUPAC2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]-4-(4-iodo-3H-pyrazol-5-yl)pyridine
SMILESClc1cccc(Cn2cnc(-c3cc(C4=C(I)CN=N4)ccn3)c2)c1Cl
InChIInChI=1S/C18H12Cl2IN5/c19-13-3-1-2-12(17(13)20)8-26-9-16(23-10-26)15-6-11(4-5-22-15)18-14(21)7-24-25-18/h1-6,9-10H,7-8H2
InChIKeyPCNOVJSVDWWKRE-UHFFFAOYSA-N
MW496.14 g/mol
LogP5.87
Rot. Bonds4

About 2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]-4-(4-iodo-3H-pyrazol-5-yl)pyridine

2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]-4-(4-iodo-3H-pyrazol-5-yl)pyridine (PubChem CID 145046302) has the molecular formula C18H12Cl2IN5 and a molecular weight of 496.14 g/mol. Its IUPAC name is 2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]-4-(4-iodo-3H-pyrazol-5-yl)pyridine.

Molecular Properties

Compound Name2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]-4-(4-iodo-3H-pyrazol-5-yl)pyridine
PubChem CID145046302
Molecular FormulaC18H12Cl2IN5
Molecular Weight496.14 g/mol
Exact Mass494.95
IUPAC Name2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]-4-(4-iodo-3H-pyrazol-5-yl)pyridine
SMILESClc1cccc(Cn2cnc(-c3cc(C4=C(I)CN=N4)ccn3)c2)c1Cl
InChIInChI=1S/C18H12Cl2IN5/c19-13-3-1-2-12(17(13)20)8-26-9-16(23-10-26)15-6-11(4-5-22-15)18-14(21)7-24-25-18/h1-6,9-10H,7-8H2
InChIKeyPCNOVJSVDWWKRE-UHFFFAOYSA-N
XLogP5.87
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.14
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]pyridine-4-carbaldehyde
CID 118956714
[5-[2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-pyridinyl]-2H-triazol-4-yl]-trimethylsilane
CID 140710238
(Z)-1-[2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]-4-pyridinyl]-2-hydrazinylprop-1-en-1-amine
CID 145046214
1-[(2,3-dichlorophenyl)methyl]-4-ethynylimidazole
CID 175310156
2-[1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-4-carbonitrile
CID 90407518
4-(2H-tetrazol-5-yl)-2-[1-[[2-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]pyridine
CID 90407265
1-[(2,3-dichlorophenyl)methyl]-3-(4-iodophenyl)-1,2,4-triazole
CID 107310995
1-[(2,3-dichlorophenyl)methyl]azetidine
CID 131042479
4-[5-iodo-1-[(4-methoxyphenyl)methyl]triazol-4-yl]-2-[1-(2-naphthalen-1-ylethyl)imidazol-4-yl]pyridine
CID 121282962
2-[1-[(2,6-difluorophenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121460613
2-(1-benzylimidazol-4-yl)-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
CID 121454336
2-[1-[[(3R)-7-chloro-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
CID 121290266

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]-4-(4-iodo-3H-pyrazol-5-yl)pyridine?
The IUPAC name of 2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]-4-(4-iodo-3H-pyrazol-5-yl)pyridine (CID 145046302) is 2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]-4-(4-iodo-3H-pyrazol-5-yl)pyridine.
What is the SMILES notation for 2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]-4-(4-iodo-3H-pyrazol-5-yl)pyridine?
The canonical SMILES for 2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]-4-(4-iodo-3H-pyrazol-5-yl)pyridine is Clc1cccc(Cn2cnc(-c3cc(C4=C(I)CN=N4)ccn3)c2)c1Cl.
What is the InChIKey of 2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]-4-(4-iodo-3H-pyrazol-5-yl)pyridine?
The InChIKey is PCNOVJSVDWWKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2IN5/c19-13-3-1-2-12(17(13)20)8-26-9-16(23-10-26)15-6-11(4-5-22-15)18-14(21)7-24-25-18/h1-6,9-10H,7-8H2.
What are the key properties of 2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]-4-(4-iodo-3H-pyrazol-5-yl)pyridine?
2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]-4-(4-iodo-3H-pyrazol-5-yl)pyridine has a molecular weight of 496.14 g/mol, XLogP of 5.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]-4-(4-iodo-3H-pyrazol-5-yl)pyridine is sourced from PubChem (CID 145046302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).