N,N'-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pentanediamide;hydrochloride

C23H27ClN6O2 — CID 44532482

IUPACN,N'-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pentanediamide;hydrochloride
SMILESCl.O=C(CCCC(=O)Nc1ccc(C2=NCCN2)cc1)Nc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C23H26N6O2.ClH/c30-20(28-18-8-4-16(5-9-18)22-24-12-13-25-22)2-1-3-21(31)29-19-10-6-17(7-11-19)23-26-14-15-27-23;/h4-11H,1-3,12-15H2,(H,24,25)(H,26,27)(H,28,30)(H,29,31);1H
InChIKeyLFXCPWGUMVSTFZ-UHFFFAOYSA-N
MW454.96 g/mol
LogP2.56
Rot. Bonds8

About N,N'-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pentanediamide;hydrochloride

N,N'-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pentanediamide;hydrochloride (PubChem CID 44532482) has the molecular formula C23H27ClN6O2 and a molecular weight of 454.96 g/mol. Its IUPAC name is N,N'-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pentanediamide;hydrochloride.

Molecular Properties

Compound NameN,N'-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pentanediamide;hydrochloride
PubChem CID44532482
Molecular FormulaC23H27ClN6O2
Molecular Weight454.96 g/mol
Exact Mass454.19
IUPAC NameN,N'-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pentanediamide;hydrochloride
SMILESCl.O=C(CCCC(=O)Nc1ccc(C2=NCCN2)cc1)Nc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C23H26N6O2.ClH/c30-20(28-18-8-4-16(5-9-18)22-24-12-13-25-22)2-1-3-21(31)29-19-10-6-17(7-11-19)23-26-14-15-27-23;/h4-11H,1-3,12-15H2,(H,24,25)(H,26,27)(H,28,30)(H,29,31);1H
InChIKeyLFXCPWGUMVSTFZ-UHFFFAOYSA-N
XLogP2.56
TPSA106.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.96
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

Imidocarb
CID 21389
Imidocarb Hydrochloride
CID 21388
2-Amino-N(1),N(3)-bis(4-(4,5-dihydro-1H-imidazol-2-yl)phenyl)isophthalamide
CID 251786
1-N,4-N-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide
CID 411778
N1,N5-Bis[4-(aminoiminomethyl)phenyl]pentanediamide
CID 3010934
N,N'-bis(4-carbamimidoylphenyl)octanediamide
CID 44610720
4',4''-Bis(imidazolin-2-yl)isophthalanilide
CID 413901
(E)-3-[4-[(E)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)anilino]-3-oxo-prop-1-enyl]phenyl]-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]prop-2-enamide
CID 6476900
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-(4-carbamimidoylanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-(diaminomethylideneamino)pentanamide
CID 70686317
N,N'-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pentane-1,5-diamine;dihydrochloride
CID 90664399
Benzamide, N-(4-(4,5-dihydro-1H-imidazol-2-yl)phenyl)-3-((((4-(aminothioxomethyl)phenyl)amino)carbonyl)amino)-
CID 247952
1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]phenyl]urea
CID 414295

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pentanediamide;hydrochloride?
The IUPAC name of N,N'-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pentanediamide;hydrochloride (CID 44532482) is N,N'-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pentanediamide;hydrochloride.
What is the SMILES notation for N,N'-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pentanediamide;hydrochloride?
The canonical SMILES for N,N'-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pentanediamide;hydrochloride is Cl.O=C(CCCC(=O)Nc1ccc(C2=NCCN2)cc1)Nc1ccc(C2=NCCN2)cc1.
What is the InChIKey of N,N'-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pentanediamide;hydrochloride?
The InChIKey is LFXCPWGUMVSTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2.ClH/c30-20(28-18-8-4-16(5-9-18)22-24-12-13-25-22)2-1-3-21(31)29-19-10-6-17(7-11-19)23-26-14-15-27-23;/h4-11H,1-3,12-15H2,(H,24,25)(H,26,27)(H,28,30)(H,29,31);1H.
What are the key properties of N,N'-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pentanediamide;hydrochloride?
N,N'-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pentanediamide;hydrochloride has a molecular weight of 454.96 g/mol, XLogP of 2.56, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pentanediamide;hydrochloride is sourced from PubChem (CID 44532482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).