3-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]-N-methylpropan-1-amine

C16H21N3 — CID 116876962

IUPAC3-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]-N-methylpropan-1-amine
SMILESCNCCCc1ncc(-c2ccc3c(c2)CCC3)[nH]1
InChIInChI=1S/C16H21N3/c1-17-9-3-6-16-18-11-15(19-16)14-8-7-12-4-2-5-13(12)10-14/h7-8,10-11,17H,2-6,9H2,1H3,(H,18,19)
InChIKeyURCUSORYLODTOA-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.72
Rot. Bonds5

About 3-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]-N-methylpropan-1-amine

3-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]-N-methylpropan-1-amine (PubChem CID 116876962) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]-N-methylpropan-1-amine
PubChem CID116876962
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name3-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]-N-methylpropan-1-amine
SMILESCNCCCc1ncc(-c2ccc3c(c2)CCC3)[nH]1
InChIInChI=1S/C16H21N3/c1-17-9-3-6-16-18-11-15(19-16)14-8-7-12-4-2-5-13(12)10-14/h7-8,10-11,17H,2-6,9H2,1H3,(H,18,19)
InChIKeyURCUSORYLODTOA-UHFFFAOYSA-N
XLogP2.72
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]ethanethiol
CID 116879281
[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]methanethiol
CID 116879138
1-[1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine
CID 116882176
2-methyl-3-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116877030
3-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine
CID 60841557
N-methyl-3-[5-(3-nitrophenyl)-1H-imidazol-2-yl]propan-1-amine
CID 60841562
3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116876928
1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]ethanone
CID 116880631
[1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]cyclopropyl]methanol
CID 116882014
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine
CID 82290112
3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]-N-methylpropan-1-amine
CID 54924865
5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazole-2-carboxylic acid
CID 82081323

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]-N-methylpropan-1-amine (CID 116876962) is 3-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]-N-methylpropan-1-amine is CNCCCc1ncc(-c2ccc3c(c2)CCC3)[nH]1.
What is the InChIKey of 3-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]-N-methylpropan-1-amine?
The InChIKey is URCUSORYLODTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-17-9-3-6-16-18-11-15(19-16)14-8-7-12-4-2-5-13(12)10-14/h7-8,10-11,17H,2-6,9H2,1H3,(H,18,19).
What are the key properties of 3-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]-N-methylpropan-1-amine?
3-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]-N-methylpropan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 116876962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).