3-imidazol-1-yl-N-(naphthalen-1-ylmethyl)-N-(naphthalen-2-ylmethyl)propan-1-amine

C28H27N3 — CID 22744894

IUPAC3-imidazol-1-yl-N-(naphthalen-1-ylmethyl)-N-(naphthalen-2-ylmethyl)propan-1-amine
SMILESc1ccc2cc(CN(CCCn3ccnc3)Cc3cccc4ccccc34)ccc2c1
InChIInChI=1S/C28H27N3/c1-2-9-26-19-23(13-14-24(26)7-1)20-31(17-6-16-30-18-15-29-22-30)21-27-11-5-10-25-8-3-4-12-28(25)27/h1-5,7-15,18-19,22H,6,16-17,20-21H2
InChIKeyHLMAGOZCRZZHQE-UHFFFAOYSA-N
MW405.55 g/mol
LogP6.28
Rot. Bonds8

About 3-imidazol-1-yl-N-(naphthalen-1-ylmethyl)-N-(naphthalen-2-ylmethyl)propan-1-amine

3-imidazol-1-yl-N-(naphthalen-1-ylmethyl)-N-(naphthalen-2-ylmethyl)propan-1-amine (PubChem CID 22744894) has the molecular formula C28H27N3 and a molecular weight of 405.55 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-(naphthalen-1-ylmethyl)-N-(naphthalen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-N-(naphthalen-1-ylmethyl)-N-(naphthalen-2-ylmethyl)propan-1-amine
PubChem CID22744894
Molecular FormulaC28H27N3
Molecular Weight405.55 g/mol
Exact Mass405.22
IUPAC Name3-imidazol-1-yl-N-(naphthalen-1-ylmethyl)-N-(naphthalen-2-ylmethyl)propan-1-amine
SMILESc1ccc2cc(CN(CCCn3ccnc3)Cc3cccc4ccccc34)ccc2c1
InChIInChI=1S/C28H27N3/c1-2-9-26-19-23(13-14-24(26)7-1)20-31(17-6-16-30-18-15-29-22-30)21-27-11-5-10-25-8-3-4-12-28(25)27/h1-5,7-15,18-19,22H,6,16-17,20-21H2
InChIKeyHLMAGOZCRZZHQE-UHFFFAOYSA-N
XLogP6.28
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.55
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 16677797
5-[[(2-fluorophenyl)methyl-(3-imidazol-1-ylpropyl)amino]methyl]-1,3-dimethylbenzimidazol-2-one
CID 46962084
N-[(4-chloro-3-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]propan-1-amine
CID 16676966
4-imidazol-1-yl-N-(naphthalen-2-ylmethyl)butan-1-amine
CID 61071099
3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(quinolin-6-ylmethyl)propan-1-amine
CID 46962088
N-[(3,4-difluorophenyl)methyl]-N-[(2-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171671123
N-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]propan-1-amine
CID 16676748
3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine
CID 46962062
N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 16677048
N-[(3-fluorophenyl)methyl]-N-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 46954094
N-(furan-3-ylmethyl)-3-imidazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 46998655
[benzyl(3-imidazol-1-ylpropyl)amino]methanol;prop-1-yne
CID 142002586

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-(naphthalen-1-ylmethyl)-N-(naphthalen-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-imidazol-1-yl-N-(naphthalen-1-ylmethyl)-N-(naphthalen-2-ylmethyl)propan-1-amine (CID 22744894) is 3-imidazol-1-yl-N-(naphthalen-1-ylmethyl)-N-(naphthalen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-N-(naphthalen-1-ylmethyl)-N-(naphthalen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-imidazol-1-yl-N-(naphthalen-1-ylmethyl)-N-(naphthalen-2-ylmethyl)propan-1-amine is c1ccc2cc(CN(CCCn3ccnc3)Cc3cccc4ccccc34)ccc2c1.
What is the InChIKey of 3-imidazol-1-yl-N-(naphthalen-1-ylmethyl)-N-(naphthalen-2-ylmethyl)propan-1-amine?
The InChIKey is HLMAGOZCRZZHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3/c1-2-9-26-19-23(13-14-24(26)7-1)20-31(17-6-16-30-18-15-29-22-30)21-27-11-5-10-25-8-3-4-12-28(25)27/h1-5,7-15,18-19,22H,6,16-17,20-21H2.
What are the key properties of 3-imidazol-1-yl-N-(naphthalen-1-ylmethyl)-N-(naphthalen-2-ylmethyl)propan-1-amine?
3-imidazol-1-yl-N-(naphthalen-1-ylmethyl)-N-(naphthalen-2-ylmethyl)propan-1-amine has a molecular weight of 405.55 g/mol, XLogP of 6.28, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-(naphthalen-1-ylmethyl)-N-(naphthalen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 22744894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).