3-[1-[(2-chloro-5-methylphenyl)methyl]-4,5-dimethylimidazol-2-yl]pyridine;cyclopropane

C21H24ClN3 — CID 144627667

IUPAC3-[1-[(2-chloro-5-methylphenyl)methyl]-4,5-dimethylimidazol-2-yl]pyridine;cyclopropane
SMILESC1CC1.Cc1ccc(Cl)c(Cn2c(-c3cccnc3)nc(C)c2C)c1
InChIInChI=1S/C18H18ClN3.C3H6/c1-12-6-7-17(19)16(9-12)11-22-14(3)13(2)21-18(22)15-5-4-8-20-10-15;1-2-3-1/h4-10H,11H2,1-3H3;1-3H2
InChIKeyDXYNDRVXJMHTNH-UHFFFAOYSA-N
MW353.90 g/mol
LogP5.74
Rot. Bonds3

About 3-[1-[(2-chloro-5-methylphenyl)methyl]-4,5-dimethylimidazol-2-yl]pyridine;cyclopropane

3-[1-[(2-chloro-5-methylphenyl)methyl]-4,5-dimethylimidazol-2-yl]pyridine;cyclopropane (PubChem CID 144627667) has the molecular formula C21H24ClN3 and a molecular weight of 353.90 g/mol. Its IUPAC name is 3-[1-[(2-chloro-5-methylphenyl)methyl]-4,5-dimethylimidazol-2-yl]pyridine;cyclopropane.

Molecular Properties

Compound Name3-[1-[(2-chloro-5-methylphenyl)methyl]-4,5-dimethylimidazol-2-yl]pyridine;cyclopropane
PubChem CID144627667
Molecular FormulaC21H24ClN3
Molecular Weight353.90 g/mol
Exact Mass353.17
IUPAC Name3-[1-[(2-chloro-5-methylphenyl)methyl]-4,5-dimethylimidazol-2-yl]pyridine;cyclopropane
SMILESC1CC1.Cc1ccc(Cl)c(Cn2c(-c3cccnc3)nc(C)c2C)c1
InChIInChI=1S/C18H18ClN3.C3H6/c1-12-6-7-17(19)16(9-12)11-22-14(3)13(2)21-18(22)15-5-4-8-20-10-15;1-2-3-1/h4-10H,11H2,1-3H3;1-3H2
InChIKeyDXYNDRVXJMHTNH-UHFFFAOYSA-N
XLogP5.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.90
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-chloro-5-methylphenyl)methyl]-4,5-dimethylimidazol-2-yl]pyridine;cyclopropane?
The IUPAC name of 3-[1-[(2-chloro-5-methylphenyl)methyl]-4,5-dimethylimidazol-2-yl]pyridine;cyclopropane (CID 144627667) is 3-[1-[(2-chloro-5-methylphenyl)methyl]-4,5-dimethylimidazol-2-yl]pyridine;cyclopropane.
What is the SMILES notation for 3-[1-[(2-chloro-5-methylphenyl)methyl]-4,5-dimethylimidazol-2-yl]pyridine;cyclopropane?
The canonical SMILES for 3-[1-[(2-chloro-5-methylphenyl)methyl]-4,5-dimethylimidazol-2-yl]pyridine;cyclopropane is C1CC1.Cc1ccc(Cl)c(Cn2c(-c3cccnc3)nc(C)c2C)c1.
What is the InChIKey of 3-[1-[(2-chloro-5-methylphenyl)methyl]-4,5-dimethylimidazol-2-yl]pyridine;cyclopropane?
The InChIKey is DXYNDRVXJMHTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3.C3H6/c1-12-6-7-17(19)16(9-12)11-22-14(3)13(2)21-18(22)15-5-4-8-20-10-15;1-2-3-1/h4-10H,11H2,1-3H3;1-3H2.
What are the key properties of 3-[1-[(2-chloro-5-methylphenyl)methyl]-4,5-dimethylimidazol-2-yl]pyridine;cyclopropane?
3-[1-[(2-chloro-5-methylphenyl)methyl]-4,5-dimethylimidazol-2-yl]pyridine;cyclopropane has a molecular weight of 353.90 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-chloro-5-methylphenyl)methyl]-4,5-dimethylimidazol-2-yl]pyridine;cyclopropane is sourced from PubChem (CID 144627667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).