2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide

C19H20ClN7O — CID 122189110

IUPAC2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide
SMILESO=C(Nc1ccc(NC2=NCCN2)cc1)c1ccc(NC2=NCCN2)cc1Cl
InChIInChI=1S/C19H20ClN7O/c20-16-11-14(27-19-23-9-10-24-19)5-6-15(16)17(28)25-12-1-3-13(4-2-12)26-18-21-7-8-22-18/h1-6,11H,7-10H2,(H,25,28)(H2,21,22,26)(H2,23,24,27)
InChIKeyDPLJXSFPQXLYNQ-UHFFFAOYSA-N
MW397.87 g/mol
LogP2.33
Rot. Bonds4

About 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide

2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide (PubChem CID 122189110) has the molecular formula C19H20ClN7O and a molecular weight of 397.87 g/mol. Its IUPAC name is 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide
PubChem CID122189110
Molecular FormulaC19H20ClN7O
Molecular Weight397.87 g/mol
Exact Mass397.14
IUPAC Name2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide
SMILESO=C(Nc1ccc(NC2=NCCN2)cc1)c1ccc(NC2=NCCN2)cc1Cl
InChIInChI=1S/C19H20ClN7O/c20-16-11-14(27-19-23-9-10-24-19)5-6-15(16)17(28)25-12-1-3-13(4-2-12)26-18-21-7-8-22-18/h1-6,11H,7-10H2,(H,25,28)(H2,21,22,26)(H2,23,24,27)
InChIKeyDPLJXSFPQXLYNQ-UHFFFAOYSA-N
XLogP2.33
TPSA101.94 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 52.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide
CID 249307
Wander
CID 65558
DNA crosslinker 6
CID 24800508
1-N,4-N-bis[3-chloro-4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide
CID 414407
1-N,3-N-bis[3-chloro-4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide
CID 414408
4-[(N-Cyclohexyl-3,5-dimethyl-piperazine-1-carboximidoyl)-amino]-N-[2-(2,4-dichloro-phenyl)-ethyl]-benzamide
CID 9958649
4-[[N'-(2-amino-2-methylpropyl)-N-cyclohexylcarbamimidoyl]amino]-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 11237444
3-{2-Chloro-4-[3-(1,4,5,6-tetrahydro-pyrimidin-2-ylamino)-benzoylamino]-phenyl}-acrylic acid
CID 44283263
3-[3-(3-Chloro-4-amido-phenyl)-ureidomethyl]-N-(4-dimethylaminomethyl-phenyl)-benzamide
CID 44819373
4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-propan-2-ylbenzamide
CID 58578918
N-(3-chloro-2-methylphenyl)-N'-[4-(1-pyrrolidinylcarbonyl)phenyl]urea
CID 2211223
4-[(N-Cyclohexyl-3-oxo-piperazine-1-carboximidoyl)-amino]-N-[2-(2,4-dichloro-phenyl)-ethyl]-benzamide
CID 11179871

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide?
The IUPAC name of 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide (CID 122189110) is 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide.
What is the SMILES notation for 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide?
The canonical SMILES for 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide is O=C(Nc1ccc(NC2=NCCN2)cc1)c1ccc(NC2=NCCN2)cc1Cl.
What is the InChIKey of 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide?
The InChIKey is DPLJXSFPQXLYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN7O/c20-16-11-14(27-19-23-9-10-24-19)5-6-15(16)17(28)25-12-1-3-13(4-2-12)26-18-21-7-8-22-18/h1-6,11H,7-10H2,(H,25,28)(H2,21,22,26)(H2,23,24,27).
What are the key properties of 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide?
2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide has a molecular weight of 397.87 g/mol, XLogP of 2.33, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide is sourced from PubChem (CID 122189110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).