4-(imidazol-1-ylmethyl)-1-(3-propan-2-ylphenyl)imidazole

C16H18N4 — CID 23445128

IUPAC4-(imidazol-1-ylmethyl)-1-(3-propan-2-ylphenyl)imidazole
SMILESCC(C)c1cccc(-n2cnc(Cn3ccnc3)c2)c1
InChIInChI=1S/C16H18N4/c1-13(2)14-4-3-5-16(8-14)20-10-15(18-12-20)9-19-7-6-17-11-19/h3-8,10-13H,9H2,1-2H3
InChIKeyFKRWTLANDROZIO-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.24
Rot. Bonds4

About 4-(imidazol-1-ylmethyl)-1-(3-propan-2-ylphenyl)imidazole

4-(imidazol-1-ylmethyl)-1-(3-propan-2-ylphenyl)imidazole (PubChem CID 23445128) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-1-(3-propan-2-ylphenyl)imidazole.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-1-(3-propan-2-ylphenyl)imidazole
PubChem CID23445128
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name4-(imidazol-1-ylmethyl)-1-(3-propan-2-ylphenyl)imidazole
SMILESCC(C)c1cccc(-n2cnc(Cn3ccnc3)c2)c1
InChIInChI=1S/C16H18N4/c1-13(2)14-4-3-5-16(8-14)20-10-15(18-12-20)9-19-7-6-17-11-19/h3-8,10-13H,9H2,1-2H3
InChIKeyFKRWTLANDROZIO-UHFFFAOYSA-N
XLogP3.24
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1,1-difluoroethyl)phenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride
CID 23445096
4-(imidazol-1-ylmethyl)-1-(4-methylphenyl)imidazole
CID 141054781
1-[3-(difluoromethyl)-4-fluorophenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride
CID 23445038
1-(2,3-dihydro-1H-inden-5-yl)-4-(imidazol-1-ylmethyl)imidazole
CID 141054852
4-(imidazol-1-ylmethyl)-1-(4-nitrophenyl)imidazole
CID 141054735
1-(3-imidazol-1-ylphenyl)ethanol
CID 50973411
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 55556177
ethane;1-[(3-methyl-5-propan-2-ylphenyl)methyl]imidazole
CID 143579531
4-benzyl-1-(4-propan-2-ylphenyl)imidazole
CID 156877857
N-[1-(3-imidazol-1-ylphenyl)ethyl]acetamide
CID 175743937
2-(chloromethyl)-6-(imidazol-1-ylmethyl)pyridine
CID 86089749
1-[2-butyl-4-[1-(3-propan-2-ylphenyl)imidazol-4-yl]phenyl]ethanone
CID 177240665

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-1-(3-propan-2-ylphenyl)imidazole?
The IUPAC name of 4-(imidazol-1-ylmethyl)-1-(3-propan-2-ylphenyl)imidazole (CID 23445128) is 4-(imidazol-1-ylmethyl)-1-(3-propan-2-ylphenyl)imidazole.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-1-(3-propan-2-ylphenyl)imidazole?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-1-(3-propan-2-ylphenyl)imidazole is CC(C)c1cccc(-n2cnc(Cn3ccnc3)c2)c1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-1-(3-propan-2-ylphenyl)imidazole?
The InChIKey is FKRWTLANDROZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-13(2)14-4-3-5-16(8-14)20-10-15(18-12-20)9-19-7-6-17-11-19/h3-8,10-13H,9H2,1-2H3.
What are the key properties of 4-(imidazol-1-ylmethyl)-1-(3-propan-2-ylphenyl)imidazole?
4-(imidazol-1-ylmethyl)-1-(3-propan-2-ylphenyl)imidazole has a molecular weight of 266.35 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-1-(3-propan-2-ylphenyl)imidazole is sourced from PubChem (CID 23445128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).