N'-[[3-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine

C22H22ClN5 — CID 138566863

IUPACN'-[[3-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine
SMILESCNCCNCc1cccc(-c2nc3ccncc3n2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H22ClN5/c1-24-11-12-26-14-16-3-2-4-17(13-16)22-27-20-9-10-25-15-21(20)28(22)19-7-5-18(23)6-8-19/h2-10,13,15,24,26H,11-12,14H2,1H3
InChIKeyBDXZKOSKPNDGCR-UHFFFAOYSA-N
MW391.91 g/mol
LogP4.05
Rot. Bonds7

About N'-[[3-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine

N'-[[3-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine (PubChem CID 138566863) has the molecular formula C22H22ClN5 and a molecular weight of 391.91 g/mol. Its IUPAC name is N'-[[3-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[3-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine
PubChem CID138566863
Molecular FormulaC22H22ClN5
Molecular Weight391.91 g/mol
Exact Mass391.16
IUPAC NameN'-[[3-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine
SMILESCNCCNCc1cccc(-c2nc3ccncc3n2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H22ClN5/c1-24-11-12-26-14-16-3-2-4-17(13-16)22-27-20-9-10-25-15-21(20)28(22)19-7-5-18(23)6-8-19/h2-10,13,15,24,26H,11-12,14H2,1H3
InChIKeyBDXZKOSKPNDGCR-UHFFFAOYSA-N
XLogP4.05
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.91
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-2-(4-ethylphenyl)imidazo[4,5-c]pyridine
CID 138566817
2-(3-methylphenyl)-3-phenylimidazo[4,5-c]pyridine
CID 163782287
1-(4-chlorophenyl)-2-(3-methoxyphenyl)benzimidazole
CID 134816857
2-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)phenyl]ethanamine
CID 114793319
3-(4-chlorophenyl)-2-(3H-pyrrol-4-yl)imidazo[4,5-c]pyridine
CID 148599563
2-[2,5-bis[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]-4-[3-(4-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(4-phenylphenyl)imidazo[4,5-b]pyridine
CID 58803402
N'-[(3-chloro-4-fluorophenyl)methyl]-N-methylethane-1,2-diamine;ethane
CID 144872416
1-(4-chlorophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 19353947
2-naphthalen-1-yl-3-phenylimidazo[4,5-c]pyridine
CID 134338004
2-[[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]amino]ethanol
CID 129237744
5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-piperazin-1-yl-1,3-thiazole
CID 86268997
2-[[4-methyl-5-[3-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]amino]ethanol
CID 138566809

Frequently Asked Questions

What is the IUPAC name of N'-[[3-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine?
The IUPAC name of N'-[[3-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine (CID 138566863) is N'-[[3-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-[[3-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine?
The canonical SMILES for N'-[[3-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine is CNCCNCc1cccc(-c2nc3ccncc3n2-c2ccc(Cl)cc2)c1.
What is the InChIKey of N'-[[3-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine?
The InChIKey is BDXZKOSKPNDGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5/c1-24-11-12-26-14-16-3-2-4-17(13-16)22-27-20-9-10-25-15-21(20)28(22)19-7-5-18(23)6-8-19/h2-10,13,15,24,26H,11-12,14H2,1H3.
What are the key properties of N'-[[3-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine?
N'-[[3-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine has a molecular weight of 391.91 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 138566863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).