1-(2-bicyclo[2.2.1]heptanylmethyl)-N-phenylimidazol-2-amine

C17H21N3 — CID 106572452

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)-N-phenylimidazol-2-amine
SMILESc1ccc(Nc2nccn2CC2CC3CCC2C3)cc1
InChIInChI=1S/C17H21N3/c1-2-4-16(5-3-1)19-17-18-8-9-20(17)12-15-11-13-6-7-14(15)10-13/h1-5,8-9,13-15H,6-7,10-12H2,(H,18,19)
InChIKeyBBLIOTVJZVVXQG-UHFFFAOYSA-N
MW267.38 g/mol
LogP4.06
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanylmethyl)-N-phenylimidazol-2-amine

1-(2-bicyclo[2.2.1]heptanylmethyl)-N-phenylimidazol-2-amine (PubChem CID 106572452) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)-N-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)-N-phenylimidazol-2-amine
PubChem CID106572452
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)-N-phenylimidazol-2-amine
SMILESc1ccc(Nc2nccn2CC2CC3CCC2C3)cc1
InChIInChI=1S/C17H21N3/c1-2-4-16(5-3-1)19-17-18-8-9-20(17)12-15-11-13-6-7-14(15)10-13/h1-5,8-9,13-15H,6-7,10-12H2,(H,18,19)
InChIKeyBBLIOTVJZVVXQG-UHFFFAOYSA-N
XLogP4.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methylcyclohexyl)methyl]-N-phenylimidazol-2-amine
CID 106563814
1-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106572492
1-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-2-one
CID 116618396
N-(2-bicyclo[2.2.1]heptanylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731485
N-phenyl-1-prop-2-ynylimidazol-2-amine
CID 88690994
[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]methanamine
CID 79557924
1-N-[7-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]heptyl]-2-N-phenylbenzene-1,2-diamine
CID 10499793
1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]ethanamine
CID 79558298
1-[(2-methylphenyl)methyl]-N-phenylimidazol-2-amine
CID 106563124
1-octyl-N-phenylimidazol-2-amine
CID 106578848
1-cyclooctyl-N-phenylimidazol-2-amine
CID 106557142
1-(2-methylcyclopropyl)-N-phenylimidazol-2-amine
CID 106571139

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-N-phenylimidazol-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-N-phenylimidazol-2-amine (CID 106572452) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-N-phenylimidazol-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-N-phenylimidazol-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-N-phenylimidazol-2-amine is c1ccc(Nc2nccn2CC2CC3CCC2C3)cc1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-N-phenylimidazol-2-amine?
The InChIKey is BBLIOTVJZVVXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-2-4-16(5-3-1)19-17-18-8-9-20(17)12-15-11-13-6-7-14(15)10-13/h1-5,8-9,13-15H,6-7,10-12H2,(H,18,19).
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-N-phenylimidazol-2-amine?
1-(2-bicyclo[2.2.1]heptanylmethyl)-N-phenylimidazol-2-amine has a molecular weight of 267.38 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanylmethyl)-N-phenylimidazol-2-amine is sourced from PubChem (CID 106572452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).