[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]methanamine

C13H15N3O — CID 82649644

IUPAC[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]methanamine
SMILESNCc1ncc(-c2ccc3c(c2)CCCO3)[nH]1
InChIInChI=1S/C13H15N3O/c14-7-13-15-8-11(16-13)9-3-4-12-10(6-9)2-1-5-17-12/h3-4,6,8H,1-2,5,7,14H2,(H,15,16)
InChIKeyCFOCYFKLBSKNDL-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.86
Rot. Bonds2

About [5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]methanamine

[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]methanamine (PubChem CID 82649644) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is [5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]methanamine
PubChem CID82649644
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]methanamine
SMILESNCc1ncc(-c2ccc3c(c2)CCCO3)[nH]1
InChIInChI=1S/C13H15N3O/c14-7-13-15-8-11(16-13)9-3-4-12-10(6-9)2-1-5-17-12/h3-4,6,8H,1-2,5,7,14H2,(H,15,16)
InChIKeyCFOCYFKLBSKNDL-UHFFFAOYSA-N
XLogP1.86
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116876928
3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propanenitrile
CID 116880179
[1-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882118
2-amino-1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-2-yl]ethanol
CID 116881709
2-bromo-5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazole
CID 116884325
[3-(3,4-dihydro-2H-chromen-6-yl)-1H-pyrazol-5-yl]methanamine
CID 82474070
[3-(3,4-dihydro-2H-chromen-6-yl)pyrazin-2-yl]methanamine
CID 82477483
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
5-(3,4-dihydro-2H-chromen-6-yl)pyridin-2-amine
CID 62492220
5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine
CID 61025357
6-[2-(aminomethyl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
CID 82293410
[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]methanethiol
CID 116879138

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]methanamine?
The IUPAC name of [5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]methanamine (CID 82649644) is [5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]methanamine.
What is the SMILES notation for [5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]methanamine?
The canonical SMILES for [5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]methanamine is NCc1ncc(-c2ccc3c(c2)CCCO3)[nH]1.
What is the InChIKey of [5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]methanamine?
The InChIKey is CFOCYFKLBSKNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-7-13-15-8-11(16-13)9-3-4-12-10(6-9)2-1-5-17-12/h3-4,6,8H,1-2,5,7,14H2,(H,15,16).
What are the key properties of [5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]methanamine?
[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]methanamine has a molecular weight of 229.28 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]methanamine is sourced from PubChem (CID 82649644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).