5-(1-methylpyrazol-4-yl)-4-phenyl-1-[3-(2-propan-2-ylimidazol-1-yl)propyl]imidazole

C22H26N6 — CID 50980964

IUPAC5-(1-methylpyrazol-4-yl)-4-phenyl-1-[3-(2-propan-2-ylimidazol-1-yl)propyl]imidazole
SMILESCC(C)c1nccn1CCCn1cnc(-c2ccccc2)c1-c1cnn(C)c1
InChIInChI=1S/C22H26N6/c1-17(2)22-23-10-13-27(22)11-7-12-28-16-24-20(18-8-5-4-6-9-18)21(28)19-14-25-26(3)15-19/h4-6,8-10,13-17H,7,11-12H2,1-3H3
InChIKeyCDMQTTIIHVOSQI-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.36
Rot. Bonds7

About 5-(1-methylpyrazol-4-yl)-4-phenyl-1-[3-(2-propan-2-ylimidazol-1-yl)propyl]imidazole

5-(1-methylpyrazol-4-yl)-4-phenyl-1-[3-(2-propan-2-ylimidazol-1-yl)propyl]imidazole (PubChem CID 50980964) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-4-phenyl-1-[3-(2-propan-2-ylimidazol-1-yl)propyl]imidazole.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-4-phenyl-1-[3-(2-propan-2-ylimidazol-1-yl)propyl]imidazole
PubChem CID50980964
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC Name5-(1-methylpyrazol-4-yl)-4-phenyl-1-[3-(2-propan-2-ylimidazol-1-yl)propyl]imidazole
SMILESCC(C)c1nccn1CCCn1cnc(-c2ccccc2)c1-c1cnn(C)c1
InChIInChI=1S/C22H26N6/c1-17(2)22-23-10-13-27(22)11-7-12-28-16-24-20(18-8-5-4-6-9-18)21(28)19-14-25-26(3)15-19/h4-6,8-10,13-17H,7,11-12H2,1-3H3
InChIKeyCDMQTTIIHVOSQI-UHFFFAOYSA-N
XLogP4.36
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-diphenyl-1-propylimidazole
CID 14950648
1-butyl-2-propan-2-ylimidazole
CID 11506521
1-[3-(3-ethoxypropoxy)propyl]-4,5-diphenylimidazole
CID 10133391
3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrobromide
CID 17139034
1-(5-chloropentyl)-2-propan-2-ylimidazole
CID 43168520
1-(3-cyclopropylpropyl)-2-propan-2-ylimidazole
CID 167916960
1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyrazol-4-amine
CID 62137892
N-methyl-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine
CID 61387413
1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyridin-2-one
CID 82907885
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
1-methyl-4-[(2-phenylimidazol-1-yl)methyl]pyrazole
CID 155917955
4-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]pyridine
CID 50985644

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-4-phenyl-1-[3-(2-propan-2-ylimidazol-1-yl)propyl]imidazole?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-4-phenyl-1-[3-(2-propan-2-ylimidazol-1-yl)propyl]imidazole (CID 50980964) is 5-(1-methylpyrazol-4-yl)-4-phenyl-1-[3-(2-propan-2-ylimidazol-1-yl)propyl]imidazole.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-4-phenyl-1-[3-(2-propan-2-ylimidazol-1-yl)propyl]imidazole?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-4-phenyl-1-[3-(2-propan-2-ylimidazol-1-yl)propyl]imidazole is CC(C)c1nccn1CCCn1cnc(-c2ccccc2)c1-c1cnn(C)c1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-4-phenyl-1-[3-(2-propan-2-ylimidazol-1-yl)propyl]imidazole?
The InChIKey is CDMQTTIIHVOSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c1-17(2)22-23-10-13-27(22)11-7-12-28-16-24-20(18-8-5-4-6-9-18)21(28)19-14-25-26(3)15-19/h4-6,8-10,13-17H,7,11-12H2,1-3H3.
What are the key properties of 5-(1-methylpyrazol-4-yl)-4-phenyl-1-[3-(2-propan-2-ylimidazol-1-yl)propyl]imidazole?
5-(1-methylpyrazol-4-yl)-4-phenyl-1-[3-(2-propan-2-ylimidazol-1-yl)propyl]imidazole has a molecular weight of 374.49 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-4-phenyl-1-[3-(2-propan-2-ylimidazol-1-yl)propyl]imidazole is sourced from PubChem (CID 50980964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).