1-(1-cyclopropylcyclopropyl)-2-(4-imidazol-1-ylphenyl)imidazole

C18H18N4 — CID 146046493

IUPAC1-(1-cyclopropylcyclopropyl)-2-(4-imidazol-1-ylphenyl)imidazole
SMILESc1cn(-c2ccc(-c3nccn3C3(C4CC4)CC3)cc2)cn1
InChIInChI=1S/C18H18N4/c1-5-16(21-11-9-19-13-21)6-2-14(1)17-20-10-12-22(17)18(7-8-18)15-3-4-15/h1-2,5-6,9-13,15H,3-4,7-8H2
InChIKeyDEQMPVBXXHSMFG-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.63
Rot. Bonds4

About 1-(1-cyclopropylcyclopropyl)-2-(4-imidazol-1-ylphenyl)imidazole

1-(1-cyclopropylcyclopropyl)-2-(4-imidazol-1-ylphenyl)imidazole (PubChem CID 146046493) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(1-cyclopropylcyclopropyl)-2-(4-imidazol-1-ylphenyl)imidazole.

Molecular Properties

Compound Name1-(1-cyclopropylcyclopropyl)-2-(4-imidazol-1-ylphenyl)imidazole
PubChem CID146046493
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name1-(1-cyclopropylcyclopropyl)-2-(4-imidazol-1-ylphenyl)imidazole
SMILESc1cn(-c2ccc(-c3nccn3C3(C4CC4)CC3)cc2)cn1
InChIInChI=1S/C18H18N4/c1-5-16(21-11-9-19-13-21)6-2-14(1)17-20-10-12-22(17)18(7-8-18)15-3-4-15/h1-2,5-6,9-13,15H,3-4,7-8H2
InChIKeyDEQMPVBXXHSMFG-UHFFFAOYSA-N
XLogP3.63
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-bis(4-imidazol-1-ylphenyl)-1,2,4-triazol-4-amine
CID 91579296
1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole
CID 154820358
1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole
CID 102142171
8-(4-imidazol-1-ylphenyl)-7-methylimidazo[1,2-a]pyridine
CID 23316951
1-[1-(4-imidazol-1-ylphenyl)cyclopropyl]ethanamine
CID 117327392
(4-imidazol-1-ylphenyl)arsane
CID 173134933
1-(4-imidazol-1-ylphenyl)cyclopentane-1-carboxylic acid
CID 117394133
1-(4-fluorophenyl)imidazole;hydrobromide
CID 175571353
1-[4-[1,2,2-tris(4-imidazol-1-ylphenyl)ethyl]phenyl]imidazole
CID 162718283
4-imidazol-1-ylaniline;trihydrochloride
CID 68693958
4-(4-imidazol-1-ylphenyl)benzenesulfonyl chloride
CID 141011983
N-[2-[2-(4-imidazol-1-ylphenyl)imidazol-1-yl]ethyl]pyridine-4-carboxamide
CID 70785744

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylcyclopropyl)-2-(4-imidazol-1-ylphenyl)imidazole?
The IUPAC name of 1-(1-cyclopropylcyclopropyl)-2-(4-imidazol-1-ylphenyl)imidazole (CID 146046493) is 1-(1-cyclopropylcyclopropyl)-2-(4-imidazol-1-ylphenyl)imidazole.
What is the SMILES notation for 1-(1-cyclopropylcyclopropyl)-2-(4-imidazol-1-ylphenyl)imidazole?
The canonical SMILES for 1-(1-cyclopropylcyclopropyl)-2-(4-imidazol-1-ylphenyl)imidazole is c1cn(-c2ccc(-c3nccn3C3(C4CC4)CC3)cc2)cn1.
What is the InChIKey of 1-(1-cyclopropylcyclopropyl)-2-(4-imidazol-1-ylphenyl)imidazole?
The InChIKey is DEQMPVBXXHSMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-5-16(21-11-9-19-13-21)6-2-14(1)17-20-10-12-22(17)18(7-8-18)15-3-4-15/h1-2,5-6,9-13,15H,3-4,7-8H2.
What are the key properties of 1-(1-cyclopropylcyclopropyl)-2-(4-imidazol-1-ylphenyl)imidazole?
1-(1-cyclopropylcyclopropyl)-2-(4-imidazol-1-ylphenyl)imidazole has a molecular weight of 290.37 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylcyclopropyl)-2-(4-imidazol-1-ylphenyl)imidazole is sourced from PubChem (CID 146046493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).