N-[4-(1H-imidazol-5-yl)phenyl]-4,4-dimethylcycloheptan-1-amine

C18H25N3 — CID 65084298

IUPACN-[4-(1H-imidazol-5-yl)phenyl]-4,4-dimethylcycloheptan-1-amine
SMILESCC1(C)CCCC(Nc2ccc(-c3cnc[nH]3)cc2)CC1
InChIInChI=1S/C18H25N3/c1-18(2)10-3-4-15(9-11-18)21-16-7-5-14(6-8-16)17-12-19-13-20-17/h5-8,12-13,15,21H,3-4,9-11H2,1-2H3,(H,19,20)
InChIKeyPSOMZGBSLCYGRF-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.85
Rot. Bonds3

About N-[4-(1H-imidazol-5-yl)phenyl]-4,4-dimethylcycloheptan-1-amine

N-[4-(1H-imidazol-5-yl)phenyl]-4,4-dimethylcycloheptan-1-amine (PubChem CID 65084298) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[4-(1H-imidazol-5-yl)phenyl]-4,4-dimethylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[4-(1H-imidazol-5-yl)phenyl]-4,4-dimethylcycloheptan-1-amine
PubChem CID65084298
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[4-(1H-imidazol-5-yl)phenyl]-4,4-dimethylcycloheptan-1-amine
SMILESCC1(C)CCCC(Nc2ccc(-c3cnc[nH]3)cc2)CC1
InChIInChI=1S/C18H25N3/c1-18(2)10-3-4-15(9-11-18)21-16-7-5-14(6-8-16)17-12-19-13-20-17/h5-8,12-13,15,21H,3-4,9-11H2,1-2H3,(H,19,20)
InChIKeyPSOMZGBSLCYGRF-UHFFFAOYSA-N
XLogP4.85
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-imidazol-5-yl)phenyl]-4,4-dimethylcycloheptan-1-amine?
The IUPAC name of N-[4-(1H-imidazol-5-yl)phenyl]-4,4-dimethylcycloheptan-1-amine (CID 65084298) is N-[4-(1H-imidazol-5-yl)phenyl]-4,4-dimethylcycloheptan-1-amine.
What is the SMILES notation for N-[4-(1H-imidazol-5-yl)phenyl]-4,4-dimethylcycloheptan-1-amine?
The canonical SMILES for N-[4-(1H-imidazol-5-yl)phenyl]-4,4-dimethylcycloheptan-1-amine is CC1(C)CCCC(Nc2ccc(-c3cnc[nH]3)cc2)CC1.
What is the InChIKey of N-[4-(1H-imidazol-5-yl)phenyl]-4,4-dimethylcycloheptan-1-amine?
The InChIKey is PSOMZGBSLCYGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-18(2)10-3-4-15(9-11-18)21-16-7-5-14(6-8-16)17-12-19-13-20-17/h5-8,12-13,15,21H,3-4,9-11H2,1-2H3,(H,19,20).
What are the key properties of N-[4-(1H-imidazol-5-yl)phenyl]-4,4-dimethylcycloheptan-1-amine?
N-[4-(1H-imidazol-5-yl)phenyl]-4,4-dimethylcycloheptan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-imidazol-5-yl)phenyl]-4,4-dimethylcycloheptan-1-amine is sourced from PubChem (CID 65084298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).