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

C15H15N3O — CID 116880179

IUPAC3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propanenitrile
SMILESN#CCCc1ncc(-c2ccc3c(c2)CCCO3)[nH]1
InChIInChI=1S/C15H15N3O/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,1-4,8H2,(H,17,18)
InChIKeyHCFFNZXEEBBCIT-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.86
Rot. Bonds3

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

3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propanenitrile (PubChem CID 116880179) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propanenitrile.

Molecular Properties

Compound Name3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propanenitrile
PubChem CID116880179
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propanenitrile
SMILESN#CCCc1ncc(-c2ccc3c(c2)CCCO3)[nH]1
InChIInChI=1S/C15H15N3O/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,1-4,8H2,(H,17,18)
InChIKeyHCFFNZXEEBBCIT-UHFFFAOYSA-N
XLogP2.86
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
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
[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]methanamine
CID 82649644
3-[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]propanenitrile
CID 116880138
[1-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882118
5-(3,4-dihydro-2H-chromen-6-yl)pentanenitrile
CID 82471341
2-amino-1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-2-yl]ethanol
CID 116881709
3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanenitrile
CID 116880113
2-bromo-5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazole
CID 116884325
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
1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 43651418
3-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]propanenitrile
CID 116880162

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propanenitrile?
The IUPAC name of 3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propanenitrile (CID 116880179) is 3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propanenitrile.
What is the SMILES notation for 3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propanenitrile?
The canonical SMILES for 3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propanenitrile is N#CCCc1ncc(-c2ccc3c(c2)CCCO3)[nH]1.
What is the InChIKey of 3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propanenitrile?
The InChIKey is HCFFNZXEEBBCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/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,1-4,8H2,(H,17,18).
What are the key properties of 3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propanenitrile?
3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propanenitrile has a molecular weight of 253.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 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]propanenitrile is sourced from PubChem (CID 116880179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).