N-[[3-(naphthalen-1-ylmethyl)imidazol-4-yl]methyl]propan-2-amine

C18H21N3 — CID 66151382

IUPACN-[[3-(naphthalen-1-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncn1Cc1cccc2ccccc12
InChIInChI=1S/C18H21N3/c1-14(2)20-11-17-10-19-13-21(17)12-16-8-5-7-15-6-3-4-9-18(15)16/h3-10,13-14,20H,11-12H2,1-2H3
InChIKeyXOIYRKADJXGXNX-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.58
Rot. Bonds5

About N-[[3-(naphthalen-1-ylmethyl)imidazol-4-yl]methyl]propan-2-amine

N-[[3-(naphthalen-1-ylmethyl)imidazol-4-yl]methyl]propan-2-amine (PubChem CID 66151382) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[[3-(naphthalen-1-ylmethyl)imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(naphthalen-1-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
PubChem CID66151382
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-[[3-(naphthalen-1-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncn1Cc1cccc2ccccc12
InChIInChI=1S/C18H21N3/c1-14(2)20-11-17-10-19-13-21(17)12-16-8-5-7-15-6-3-4-9-18(15)16/h3-10,13-14,20H,11-12H2,1-2H3
InChIKeyXOIYRKADJXGXNX-UHFFFAOYSA-N
XLogP3.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(2-bromophenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66147990
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
N-[[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66149938
N-[[3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66150573
N-[[3-[(5-chlorothiophen-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66149748
N-[[3-[(5-methylpyrazin-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66149306
N-[[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]methyl]propan-2-amine
CID 106294312
1-(anthracen-1-ylmethyl)-5-pentylimidazole
CID 14577649
N-[[3-[(2-methoxy-4-pyridinyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66151600
1-(naphthalen-1-ylmethyl)-N-propan-2-ylimidazol-2-amine
CID 106571365
N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66146500
1-(naphthalen-1-ylmethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942995

Frequently Asked Questions

What is the IUPAC name of N-[[3-(naphthalen-1-ylmethyl)imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(naphthalen-1-ylmethyl)imidazol-4-yl]methyl]propan-2-amine (CID 66151382) is N-[[3-(naphthalen-1-ylmethyl)imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(naphthalen-1-ylmethyl)imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(naphthalen-1-ylmethyl)imidazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cncn1Cc1cccc2ccccc12.
What is the InChIKey of N-[[3-(naphthalen-1-ylmethyl)imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is XOIYRKADJXGXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-14(2)20-11-17-10-19-13-21(17)12-16-8-5-7-15-6-3-4-9-18(15)16/h3-10,13-14,20H,11-12H2,1-2H3.
What are the key properties of N-[[3-(naphthalen-1-ylmethyl)imidazol-4-yl]methyl]propan-2-amine?
N-[[3-(naphthalen-1-ylmethyl)imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 279.39 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(naphthalen-1-ylmethyl)imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66151382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).