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

C16H19N3O — CID 116882118

IUPAC[1-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
SMILESNCC1(c2ncc(-c3ccc4c(c3)CCCO4)[nH]2)CC1
InChIInChI=1S/C16H19N3O/c17-10-16(5-6-16)15-18-9-13(19-15)11-3-4-14-12(8-11)2-1-7-20-14/h3-4,8-9H,1-2,5-7,10,17H2,(H,18,19)
InChIKeyGYTHCVHNBBNYIV-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.39
Rot. Bonds3

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

[1-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine (PubChem CID 116882118) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is [1-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
PubChem CID116882118
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name[1-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
SMILESNCC1(c2ncc(-c3ccc4c(c3)CCCO4)[nH]2)CC1
InChIInChI=1S/C16H19N3O/c17-10-16(5-6-16)15-18-9-13(19-15)11-3-4-14-12(8-11)2-1-7-20-14/h3-4,8-9H,1-2,5-7,10,17H2,(H,18,19)
InChIKeyGYTHCVHNBBNYIV-UHFFFAOYSA-N
XLogP2.39
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.39
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]propan-1-amine
CID 116876928
3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propanenitrile
CID 116880179
[1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]cyclobutyl]methanamine
CID 116882317
1-[1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine
CID 116882176
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
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
[3-(3,4-dihydro-2H-chromen-6-yl)pyrazin-2-yl]methanamine
CID 82477483

Frequently Asked Questions

What is the IUPAC name of [1-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine?
The IUPAC name of [1-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine (CID 116882118) is [1-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine?
The canonical SMILES for [1-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine is NCC1(c2ncc(-c3ccc4c(c3)CCCO4)[nH]2)CC1.
What is the InChIKey of [1-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine?
The InChIKey is GYTHCVHNBBNYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-10-16(5-6-16)15-18-9-13(19-15)11-3-4-14-12(8-11)2-1-7-20-14/h3-4,8-9H,1-2,5-7,10,17H2,(H,18,19).
What are the key properties of [1-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine?
[1-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine has a molecular weight of 269.35 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine is sourced from PubChem (CID 116882118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).