1-(4-acetylphenyl)-3-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenyl]urea

C20H22N6O2 — CID 91194041

IUPAC1-(4-acetylphenyl)-3-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenyl]urea
SMILESCC(=O)c1ccc(NC(=O)Nc2ccc(/C(C)=N\NC3=NCCN3)cc2)cc1
InChIInChI=1S/C20H22N6O2/c1-13(25-26-19-21-11-12-22-19)15-3-7-17(8-4-15)23-20(28)24-18-9-5-16(6-10-18)14(2)27/h3-10H,11-12H2,1-2H3,(H2,21,22,26)(H2,23,24,28)/b25-13-
InChIKeyRYHPUFJCTOYZTD-MXAYSNPKSA-N
MW378.44 g/mol
LogP2.81
Rot. Bonds5

About 1-(4-acetylphenyl)-3-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenyl]urea

1-(4-acetylphenyl)-3-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenyl]urea (PubChem CID 91194041) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenyl]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenyl]urea
PubChem CID91194041
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name1-(4-acetylphenyl)-3-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenyl]urea
SMILESCC(=O)c1ccc(NC(=O)Nc2ccc(/C(C)=N\NC3=NCCN3)cc2)cc1
InChIInChI=1S/C20H22N6O2/c1-13(25-26-19-21-11-12-22-19)15-3-7-17(8-4-15)23-20(28)24-18-9-5-16(6-10-18)14(2)27/h3-10H,11-12H2,1-2H3,(H2,21,22,26)(H2,23,24,28)/b25-13-
InChIKeyRYHPUFJCTOYZTD-MXAYSNPKSA-N
XLogP2.81
TPSA106.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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
N-[4-[N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenyl]-7-nitro-1H-indole-2-carboxamide
CID 74390171
1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,4-dicarboxamide;hydrochloride
CID 44531712
1-(4-acetylphenyl)-3-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]urea
CID 91225385
N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzamide;hydrochloride
CID 44531278
1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-3-phenylurea;2,2,2-trifluoroacetic acid
CID 24800853
4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide
CID 22245999
methyl N'-[(Z)-1-[4-[(4-acetylphenyl)carbamoylamino]phenyl]ethylideneamino]carbamimidothioate
CID 91139088
1-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]phenyl]propan-1-one
CID 18470010
4-[(4-acetylphenyl)carbamoylamino]benzenesulfonyl chloride
CID 2756280
1-(4-acetylphenyl)-3-(2-methyl-4-pyridinyl)urea
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1-(4-acetylphenyl)-3-(3,5-dihydroxyphenyl)urea
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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenyl]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenyl]urea (CID 91194041) is 1-(4-acetylphenyl)-3-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenyl]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenyl]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenyl]urea is CC(=O)c1ccc(NC(=O)Nc2ccc(/C(C)=N\NC3=NCCN3)cc2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenyl]urea?
The InChIKey is RYHPUFJCTOYZTD-MXAYSNPKSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-13(25-26-19-21-11-12-22-19)15-3-7-17(8-4-15)23-20(28)24-18-9-5-16(6-10-18)14(2)27/h3-10H,11-12H2,1-2H3,(H2,21,22,26)(H2,23,24,28)/b25-13-.
What are the key properties of 1-(4-acetylphenyl)-3-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenyl]urea?
1-(4-acetylphenyl)-3-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenyl]urea has a molecular weight of 378.44 g/mol, XLogP of 2.81, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenyl]urea is sourced from PubChem (CID 91194041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).