1-[1,5-bis(4-chlorophenyl)penta-1,4-dien-3-ylideneamino]-2-methylguanidine

C19H18Cl2N4 — CID 131710865

IUPAC1-[1,5-bis(4-chlorophenyl)penta-1,4-dien-3-ylideneamino]-2-methylguanidine
SMILESC/N=C(\N)NN=C(C=Cc1ccc(Cl)cc1)C=Cc1ccc(Cl)cc1
InChIInChI=1S/C19H18Cl2N4/c1-23-19(22)25-24-18(12-6-14-2-8-16(20)9-3-14)13-7-15-4-10-17(21)11-5-15/h2-13H,1H3,(H3,22,23,25)
InChIKeyNGHHMWMCEGCMGT-UHFFFAOYSA-N
MW373.29 g/mol
LogP4.61
Rot. Bonds5

About 1-[1,5-bis(4-chlorophenyl)penta-1,4-dien-3-ylideneamino]-2-methylguanidine

1-[1,5-bis(4-chlorophenyl)penta-1,4-dien-3-ylideneamino]-2-methylguanidine (PubChem CID 131710865) has the molecular formula C19H18Cl2N4 and a molecular weight of 373.29 g/mol. Its IUPAC name is 1-[1,5-bis(4-chlorophenyl)penta-1,4-dien-3-ylideneamino]-2-methylguanidine.

Molecular Properties

Compound Name1-[1,5-bis(4-chlorophenyl)penta-1,4-dien-3-ylideneamino]-2-methylguanidine
PubChem CID131710865
Molecular FormulaC19H18Cl2N4
Molecular Weight373.29 g/mol
Exact Mass372.09
IUPAC Name1-[1,5-bis(4-chlorophenyl)penta-1,4-dien-3-ylideneamino]-2-methylguanidine
SMILESC/N=C(\N)NN=C(C=Cc1ccc(Cl)cc1)C=Cc1ccc(Cl)cc1
InChIInChI=1S/C19H18Cl2N4/c1-23-19(22)25-24-18(12-6-14-2-8-16(20)9-3-14)13-7-15-4-10-17(21)11-5-15/h2-13H,1H3,(H3,22,23,25)
InChIKeyNGHHMWMCEGCMGT-UHFFFAOYSA-N
XLogP4.61
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[(1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-ylidene]amino]-2,3-di(propan-2-yl)guanidine;hydroiodide
CID 21417067
(Z)-3-(4-chlorophenyl)prop-2-enamide
CID 25021411
(E)-3-(4-chlorophenyl)-N'-hydroxyprop-2-enimidamide;hydrate
CID 173457172
1-(4-chlorophenyl)-2-methylguanidine
CID 20543496
N-[[(1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-ylidene]amino]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
CID 21417097
3-(4-chlorophenyl)-N-(diaminomethylidene)prop-2-enamide
CID 69436446
2-(4-chlorophenyl)-1-(diaminomethylideneamino)guanidine
CID 69017102
3-(4-chlorophenyl)-N-methylprop-2-enamide
CID 4142427
[(E)-3-(4-chlorophenyl)-1-methoxyprop-2-enylidene]chromium
CID 135076224
2-chloro-N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide
CID 2227519
1-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-methylguanidine
CID 166950262
(E)-3-(4-chlorophenyl)prop-2-enoyl chloride
CID 11252649

Frequently Asked Questions

What is the IUPAC name of 1-[1,5-bis(4-chlorophenyl)penta-1,4-dien-3-ylideneamino]-2-methylguanidine?
The IUPAC name of 1-[1,5-bis(4-chlorophenyl)penta-1,4-dien-3-ylideneamino]-2-methylguanidine (CID 131710865) is 1-[1,5-bis(4-chlorophenyl)penta-1,4-dien-3-ylideneamino]-2-methylguanidine.
What is the SMILES notation for 1-[1,5-bis(4-chlorophenyl)penta-1,4-dien-3-ylideneamino]-2-methylguanidine?
The canonical SMILES for 1-[1,5-bis(4-chlorophenyl)penta-1,4-dien-3-ylideneamino]-2-methylguanidine is C/N=C(\N)NN=C(C=Cc1ccc(Cl)cc1)C=Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[1,5-bis(4-chlorophenyl)penta-1,4-dien-3-ylideneamino]-2-methylguanidine?
The InChIKey is NGHHMWMCEGCMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4/c1-23-19(22)25-24-18(12-6-14-2-8-16(20)9-3-14)13-7-15-4-10-17(21)11-5-15/h2-13H,1H3,(H3,22,23,25).
What are the key properties of 1-[1,5-bis(4-chlorophenyl)penta-1,4-dien-3-ylideneamino]-2-methylguanidine?
1-[1,5-bis(4-chlorophenyl)penta-1,4-dien-3-ylideneamino]-2-methylguanidine has a molecular weight of 373.29 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,5-bis(4-chlorophenyl)penta-1,4-dien-3-ylideneamino]-2-methylguanidine is sourced from PubChem (CID 131710865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).