6-[2-(2,6-dichlorophenyl)-4-phenyl-1H-imidazol-5-yl]pyridine-2,3-diamine

C20H15Cl2N5 — CID 68866740

IUPAC6-[2-(2,6-dichlorophenyl)-4-phenyl-1H-imidazol-5-yl]pyridine-2,3-diamine
SMILESNc1ccc(-c2[nH]c(-c3c(Cl)cccc3Cl)nc2-c2ccccc2)nc1N
InChIInChI=1S/C20H15Cl2N5/c21-12-7-4-8-13(22)16(12)20-26-17(11-5-2-1-3-6-11)18(27-20)15-10-9-14(23)19(24)25-15/h1-10H,23H2,(H2,24,25)(H,26,27)
InChIKeyZTZNOEOBXFIZQC-UHFFFAOYSA-N
MW396.28 g/mol
LogP5.28
Rot. Bonds3

About 6-[2-(2,6-dichlorophenyl)-4-phenyl-1H-imidazol-5-yl]pyridine-2,3-diamine

6-[2-(2,6-dichlorophenyl)-4-phenyl-1H-imidazol-5-yl]pyridine-2,3-diamine (PubChem CID 68866740) has the molecular formula C20H15Cl2N5 and a molecular weight of 396.28 g/mol. Its IUPAC name is 6-[2-(2,6-dichlorophenyl)-4-phenyl-1H-imidazol-5-yl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-[2-(2,6-dichlorophenyl)-4-phenyl-1H-imidazol-5-yl]pyridine-2,3-diamine
PubChem CID68866740
Molecular FormulaC20H15Cl2N5
Molecular Weight396.28 g/mol
Exact Mass395.07
IUPAC Name6-[2-(2,6-dichlorophenyl)-4-phenyl-1H-imidazol-5-yl]pyridine-2,3-diamine
SMILESNc1ccc(-c2[nH]c(-c3c(Cl)cccc3Cl)nc2-c2ccccc2)nc1N
InChIInChI=1S/C20H15Cl2N5/c21-12-7-4-8-13(22)16(12)20-26-17(11-5-2-1-3-6-11)18(27-20)15-10-9-14(23)19(24)25-15/h1-10H,23H2,(H2,24,25)(H,26,27)
InChIKeyZTZNOEOBXFIZQC-UHFFFAOYSA-N
XLogP5.28
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.28
LogP ≤ 55.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

CID 77123
CID 77123
CID 225500
CID 225500
CID 794727
CID 794727
CID 5329423
CID 5329423
CID 16109426
CID 16109426
CID 16109427
CID 16109427
CID 118896198
CID 118896198
CID 130447905
CID 130447905
CID 139308623
CID 139308623
CID 10522705
CID 10522705
CID 10618696
CID 10618696
CID 53476104
CID 53476104

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,6-dichlorophenyl)-4-phenyl-1H-imidazol-5-yl]pyridine-2,3-diamine?
The IUPAC name of 6-[2-(2,6-dichlorophenyl)-4-phenyl-1H-imidazol-5-yl]pyridine-2,3-diamine (CID 68866740) is 6-[2-(2,6-dichlorophenyl)-4-phenyl-1H-imidazol-5-yl]pyridine-2,3-diamine.
What is the SMILES notation for 6-[2-(2,6-dichlorophenyl)-4-phenyl-1H-imidazol-5-yl]pyridine-2,3-diamine?
The canonical SMILES for 6-[2-(2,6-dichlorophenyl)-4-phenyl-1H-imidazol-5-yl]pyridine-2,3-diamine is Nc1ccc(-c2[nH]c(-c3c(Cl)cccc3Cl)nc2-c2ccccc2)nc1N.
What is the InChIKey of 6-[2-(2,6-dichlorophenyl)-4-phenyl-1H-imidazol-5-yl]pyridine-2,3-diamine?
The InChIKey is ZTZNOEOBXFIZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N5/c21-12-7-4-8-13(22)16(12)20-26-17(11-5-2-1-3-6-11)18(27-20)15-10-9-14(23)19(24)25-15/h1-10H,23H2,(H2,24,25)(H,26,27).
What are the key properties of 6-[2-(2,6-dichlorophenyl)-4-phenyl-1H-imidazol-5-yl]pyridine-2,3-diamine?
6-[2-(2,6-dichlorophenyl)-4-phenyl-1H-imidazol-5-yl]pyridine-2,3-diamine has a molecular weight of 396.28 g/mol, XLogP of 5.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,6-dichlorophenyl)-4-phenyl-1H-imidazol-5-yl]pyridine-2,3-diamine is sourced from PubChem (CID 68866740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).