N-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

C15H17IN4 — CID 6519025

IUPACN-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESCN(/N=C\c1ccc2ccccc2c1)C1=NCCN1.I
InChIInChI=1S/C15H16N4.HI/c1-19(15-16-8-9-17-15)18-11-12-6-7-13-4-2-3-5-14(13)10-12;/h2-7,10-11H,8-9H2,1H3,(H,16,17);1H/b18-11-;
InChIKeyPGZSJIPFCIYABV-VVTVMFAVSA-N
MW380.23 g/mol
LogP2.68
Rot. Bonds2

About N-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

N-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (PubChem CID 6519025) has the molecular formula C15H17IN4 and a molecular weight of 380.23 g/mol. Its IUPAC name is N-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
PubChem CID6519025
Molecular FormulaC15H17IN4
Molecular Weight380.23 g/mol
Exact Mass380.05
IUPAC NameN-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESCN(/N=C\c1ccc2ccccc2c1)C1=NCCN1.I
InChIInChI=1S/C15H16N4.HI/c1-19(15-16-8-9-17-15)18-11-12-6-7-13-4-2-3-5-14(13)10-12;/h2-7,10-11H,8-9H2,1H3,(H,16,17);1H/b18-11-;
InChIKeyPGZSJIPFCIYABV-VVTVMFAVSA-N
XLogP2.68
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylideneamino]-N-methyl-4,5-dihydro-1H-imidazol-2-amine
CID 135847970
2-naphthalen-2-yl-4,5-dihydro-1H-imidazole
CID 11769428
2-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1H-imidazole;hydroiodide
CID 158320426
N-methyl-N-[(Z)-[(2Z)-2-[methyl(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazinylidene]ethylidene]amino]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 5468369
1-naphthalen-2-yl-N-prop-1-enylmethanimine
CID 71411928
tert-butyl (NE)-N-(naphthalen-2-ylmethylidene)carbamate
CID 11858848
2-naphthalen-2-yl-4,5-dihydro-1H-imidazole;oxalate
CID 162678930
(E)-N-ethoxy-1-naphthalen-2-ylmethanimine
CID 89064505
N-naphthalen-2-yl-4,5-dihydro-1H-imidazole-2-carboxamide
CID 91901954
N-[(3-methoxyphenyl)methylideneamino]-N-methylaniline
CID 3291693
methyl N-(naphthalen-2-ylmethylideneamino)carbamate
CID 909426
3-(4,5-dihydro-1H-imidazol-2-yl)isoquinoline
CID 3410883

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The IUPAC name of N-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (CID 6519025) is N-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.
What is the SMILES notation for N-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The canonical SMILES for N-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is CN(/N=C\c1ccc2ccccc2c1)C1=NCCN1.I.
What is the InChIKey of N-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The InChIKey is PGZSJIPFCIYABV-VVTVMFAVSA-N. The full InChI is InChI=1S/C15H16N4.HI/c1-19(15-16-8-9-17-15)18-11-12-6-7-13-4-2-3-5-14(13)10-12;/h2-7,10-11H,8-9H2,1H3,(H,16,17);1H/b18-11-;.
What are the key properties of N-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
N-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide has a molecular weight of 380.23 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is sourced from PubChem (CID 6519025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).