1-[4-[1-(2-methylphenyl)imidazol-2-yl]phenyl]cyclobutan-1-amine

C20H21N3 — CID 151334122

IUPAC1-[4-[1-(2-methylphenyl)imidazol-2-yl]phenyl]cyclobutan-1-amine
SMILESCc1ccccc1-n1ccnc1-c1ccc(C2(N)CCC2)cc1
InChIInChI=1S/C20H21N3/c1-15-5-2-3-6-18(15)23-14-13-22-19(23)16-7-9-17(10-8-16)20(21)11-4-12-20/h2-3,5-10,13-14H,4,11-12,21H2,1H3
InChIKeyOJBOUVPWWPAKOW-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.19
Rot. Bonds3

About 1-[4-[1-(2-methylphenyl)imidazol-2-yl]phenyl]cyclobutan-1-amine

1-[4-[1-(2-methylphenyl)imidazol-2-yl]phenyl]cyclobutan-1-amine (PubChem CID 151334122) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[4-[1-(2-methylphenyl)imidazol-2-yl]phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-[1-(2-methylphenyl)imidazol-2-yl]phenyl]cyclobutan-1-amine
PubChem CID151334122
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name1-[4-[1-(2-methylphenyl)imidazol-2-yl]phenyl]cyclobutan-1-amine
SMILESCc1ccccc1-n1ccnc1-c1ccc(C2(N)CCC2)cc1
InChIInChI=1S/C20H21N3/c1-15-5-2-3-6-18(15)23-14-13-22-19(23)16-7-9-17(10-8-16)20(21)11-4-12-20/h2-3,5-10,13-14H,4,11-12,21H2,1H3
InChIKeyOJBOUVPWWPAKOW-UHFFFAOYSA-N
XLogP4.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(2-methylphenyl)imidazol-2-yl]phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[4-[1-(2-methylphenyl)imidazol-2-yl]phenyl]cyclobutan-1-amine (CID 151334122) is 1-[4-[1-(2-methylphenyl)imidazol-2-yl]phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-[1-(2-methylphenyl)imidazol-2-yl]phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-[1-(2-methylphenyl)imidazol-2-yl]phenyl]cyclobutan-1-amine is Cc1ccccc1-n1ccnc1-c1ccc(C2(N)CCC2)cc1.
What is the InChIKey of 1-[4-[1-(2-methylphenyl)imidazol-2-yl]phenyl]cyclobutan-1-amine?
The InChIKey is OJBOUVPWWPAKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-15-5-2-3-6-18(15)23-14-13-22-19(23)16-7-9-17(10-8-16)20(21)11-4-12-20/h2-3,5-10,13-14H,4,11-12,21H2,1H3.
What are the key properties of 1-[4-[1-(2-methylphenyl)imidazol-2-yl]phenyl]cyclobutan-1-amine?
1-[4-[1-(2-methylphenyl)imidazol-2-yl]phenyl]cyclobutan-1-amine has a molecular weight of 303.41 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(2-methylphenyl)imidazol-2-yl]phenyl]cyclobutan-1-amine is sourced from PubChem (CID 151334122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).