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

C15H19N3O — CID 116876928

IUPAC3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propan-1-amine
SMILESNCCCc1ncc(-c2ccc3c(c2)CCCO3)[nH]1
InChIInChI=1S/C15H19N3O/c16-7-1-4-15-17-10-13(18-15)11-5-6-14-12(9-11)3-2-8-19-14/h5-6,9-10H,1-4,7-8,16H2,(H,17,18)
InChIKeyDKPBLZLLJFGVSD-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.29
Rot. Bonds4

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

3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propan-1-amine (PubChem CID 116876928) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propan-1-amine
PubChem CID116876928
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propan-1-amine
SMILESNCCCc1ncc(-c2ccc3c(c2)CCCO3)[nH]1
InChIInChI=1S/C15H19N3O/c16-7-1-4-15-17-10-13(18-15)11-5-6-14-12(9-11)3-2-8-19-14/h5-6,9-10H,1-4,7-8,16H2,(H,17,18)
InChIKeyDKPBLZLLJFGVSD-UHFFFAOYSA-N
XLogP2.29
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]methanamine
CID 82649644
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
3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine
CID 43650814
2-amino-1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-2-yl]ethanol
CID 116881709
3-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]-N-methylpropan-1-amine
CID 116876962
2-bromo-5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazole
CID 116884325
5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651162
2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]ethanethiol
CID 116879281
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

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propan-1-amine (CID 116876928) is 3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propan-1-amine is NCCCc1ncc(-c2ccc3c(c2)CCCO3)[nH]1.
What is the InChIKey of 3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propan-1-amine?
The InChIKey is DKPBLZLLJFGVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-7-1-4-15-17-10-13(18-15)11-5-6-14-12(9-11)3-2-8-19-14/h5-6,9-10H,1-4,7-8,16H2,(H,17,18).
What are the key properties of 3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propan-1-amine?
3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propan-1-amine has a molecular weight of 257.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propan-1-amine is sourced from PubChem (CID 116876928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).