N-[1-[6-[N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine

C15H21N9 — CID 171131715

IUPACN-[1-[6-[N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
SMILESCC(=NNC1=NCCN1)c1cccc(C(C)=NNC2=NCCN2)n1
InChIInChI=1S/C15H21N9/c1-10(21-23-14-16-6-7-17-14)12-4-3-5-13(20-12)11(2)22-24-15-18-8-9-19-15/h3-5H,6-9H2,1-2H3,(H2,16,17,23)(H2,18,19,24)
InChIKeyDWEQJZFTSWJJPT-UHFFFAOYSA-N
MW327.40 g/mol
LogP-0.37
Rot. Bonds4

About N-[1-[6-[N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine

N-[1-[6-[N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 171131715) has the molecular formula C15H21N9 and a molecular weight of 327.40 g/mol. Its IUPAC name is N-[1-[6-[N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[1-[6-[N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID171131715
Molecular FormulaC15H21N9
Molecular Weight327.40 g/mol
Exact Mass327.19
IUPAC NameN-[1-[6-[N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
SMILESCC(=NNC1=NCCN1)c1cccc(C(C)=NNC2=NCCN2)n1
InChIInChI=1S/C15H21N9/c1-10(21-23-14-16-6-7-17-14)12-4-3-5-13(20-12)11(2)22-24-15-18-8-9-19-15/h3-5H,6-9H2,1-2H3,(H2,16,17,23)(H2,18,19,24)
InChIKeyDWEQJZFTSWJJPT-UHFFFAOYSA-N
XLogP-0.37
TPSA110.45 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[1-[6-[N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine with MolForge

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Related Compounds

N-[(Z)-1-[4-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenoxy]phenyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 110177423
1-(4-acetylphenyl)-3-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenyl]urea
CID 91194041
N-[1-(5-bromo-2-ethoxyphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 911359
6-(4,5-dihydro-1H-imidazol-2-ylamino)pyridine-2-carboxylic acid;ethane
CID 91263534
4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)benzenecarbohydrazonoyl chloride
CID 131877341
N-[(7-methyl-2,3-dihydroinden-1-ylidene)amino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 70619382
N-[(2,6-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 146217301
N-[1-[6-[N-(1,3-benzoxazol-2-ylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-1,3-benzoxazol-2-amine
CID 171340495
N-[(2,6-dichlorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 146217277
N-[(2,6-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 146217300
N-[(E)-[(2Z)-2-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)ethylidene]amino]-4,5-dihydro-1H-imidazol-2-amine
CID 98561244
N-[(E)-1-[6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N-methylmethanamine
CID 15522728

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-[N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[1-[6-[N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine (CID 171131715) is N-[1-[6-[N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[1-[6-[N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[1-[6-[N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine is CC(=NNC1=NCCN1)c1cccc(C(C)=NNC2=NCCN2)n1.
What is the InChIKey of N-[1-[6-[N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is DWEQJZFTSWJJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N9/c1-10(21-23-14-16-6-7-17-14)12-4-3-5-13(20-12)11(2)22-24-15-18-8-9-19-15/h3-5H,6-9H2,1-2H3,(H2,16,17,23)(H2,18,19,24).
What are the key properties of N-[1-[6-[N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
N-[1-[6-[N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 327.40 g/mol, XLogP of -0.37, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-[N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 171131715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).