5-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C25H24Cl2N6 — CID 156786859

IUPAC5-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCn1c(-c2ccc(-n3cncn3)cc2Cl)nc2c1CN(C1CCc3ccc(Cl)cc3C1)CC2
InChIInChI=1S/C25H24Cl2N6/c1-31-24-13-32(19-5-3-16-2-4-18(26)10-17(16)11-19)9-8-23(24)30-25(31)21-7-6-20(12-22(21)27)33-15-28-14-29-33/h2,4,6-7,10,12,14-15,19H,3,5,8-9,11,13H2,1H3
InChIKeyRLDZJBMTPWFMQQ-UHFFFAOYSA-N
MW479.42 g/mol
LogP4.89
Rot. Bonds3

About 5-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

5-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 156786859) has the molecular formula C25H24Cl2N6 and a molecular weight of 479.42 g/mol. Its IUPAC name is 5-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID156786859
Molecular FormulaC25H24Cl2N6
Molecular Weight479.42 g/mol
Exact Mass478.14
IUPAC Name5-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCn1c(-c2ccc(-n3cncn3)cc2Cl)nc2c1CN(C1CCc3ccc(Cl)cc3C1)CC2
InChIInChI=1S/C25H24Cl2N6/c1-31-24-13-32(19-5-3-16-2-4-18(26)10-17(16)11-19)9-8-23(24)30-25(31)21-7-6-20(12-22(21)27)33-15-28-14-29-33/h2,4,6-7,10,12,14-15,19H,3,5,8-9,11,13H2,1H3
InChIKeyRLDZJBMTPWFMQQ-UHFFFAOYSA-N
XLogP4.89
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.42
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 5-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 156786859) is 5-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 5-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 5-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is Cn1c(-c2ccc(-n3cncn3)cc2Cl)nc2c1CN(C1CCc3ccc(Cl)cc3C1)CC2.
What is the InChIKey of 5-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is RLDZJBMTPWFMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N6/c1-31-24-13-32(19-5-3-16-2-4-18(26)10-17(16)11-19)9-8-23(24)30-25(31)21-7-6-20(12-22(21)27)33-15-28-14-29-33/h2,4,6-7,10,12,14-15,19H,3,5,8-9,11,13H2,1H3.
What are the key properties of 5-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
5-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 479.42 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 156786859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).