1-(cyclopropylmethyl)-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide

C18H22IN3 — CID 166367165

IUPAC1-(cyclopropylmethyl)-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESI.c1ccc2cc(CNC3=NCCN3CC3CC3)ccc2c1
InChIInChI=1S/C18H21N3.HI/c1-2-4-17-11-15(7-8-16(17)3-1)12-20-18-19-9-10-21(18)13-14-5-6-14;/h1-4,7-8,11,14H,5-6,9-10,12-13H2,(H,19,20);1H
InChIKeyNHDXUFCPGIQUPZ-UHFFFAOYSA-N
MW407.30 g/mol
LogP3.63
Rot. Bonds4

About 1-(cyclopropylmethyl)-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide

1-(cyclopropylmethyl)-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 166367165) has the molecular formula C18H22IN3 and a molecular weight of 407.30 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID166367165
Molecular FormulaC18H22IN3
Molecular Weight407.30 g/mol
Exact Mass407.09
IUPAC Name1-(cyclopropylmethyl)-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESI.c1ccc2cc(CNC3=NCCN3CC3CC3)ccc2c1
InChIInChI=1S/C18H21N3.HI/c1-2-4-17-11-15(7-8-16(17)3-1)12-20-18-19-9-10-21(18)13-14-5-6-14;/h1-4,7-8,11,14H,5-6,9-10,12-13H2,(H,19,20);1H
InChIKeyNHDXUFCPGIQUPZ-UHFFFAOYSA-N
XLogP3.63
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopropylmethyl)-N-[(6,7-dimethoxynaphthalen-2-yl)methyl]-4,5-dihydroimidazol-2-amine
CID 166367090
1-benzyl-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide
CID 166367101
1-(2-methoxyethyl)-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide
CID 166367127
1-methyl-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydrobromide
CID 166193259
N-[(6-methoxynaphthalen-2-yl)methyl]-1-phenylmethoxy-4,5-dihydroimidazol-2-amine
CID 166366954
1-[(2,4-dimethoxyphenyl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 166367279
1,5,5-trimethyl-N-(naphthalen-2-ylmethyl)-4H-imidazol-2-amine;hydroiodide
CID 166367204
(5S)-1-benzyl-5-methyl-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine
CID 166367236
2-(cyclopropylmethyl)naphthalene
CID 19063908
1-methyl-N-(naphthalen-2-ylmethyl)piperidin-3-amine
CID 61211389
N-(naphthalen-2-ylmethyl)cyclopropanamine;hydrochloride
CID 67542592
1-cyclopropyl-N-(naphthalen-2-ylmethyl)piperidin-4-amine
CID 43234184

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of 1-(cyclopropylmethyl)-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide (CID 166367165) is 1-(cyclopropylmethyl)-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide is I.c1ccc2cc(CNC3=NCCN3CC3CC3)ccc2c1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is NHDXUFCPGIQUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3.HI/c1-2-4-17-11-15(7-8-16(17)3-1)12-20-18-19-9-10-21(18)13-14-5-6-14;/h1-4,7-8,11,14H,5-6,9-10,12-13H2,(H,19,20);1H.
What are the key properties of 1-(cyclopropylmethyl)-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide?
1-(cyclopropylmethyl)-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 407.30 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 166367165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).