5,6-dichloro-1-methyl-N-[1-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]piperidin-4-yl]benzimidazol-2-amine

C24H26Cl2N6O — CID 171345148

IUPAC5,6-dichloro-1-methyl-N-[1-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]piperidin-4-yl]benzimidazol-2-amine
SMILESCc1noc(-c2ccc(CCN3CCC(Nc4nc5cc(Cl)c(Cl)cc5n4C)CC3)cc2)n1
InChIInChI=1S/C24H26Cl2N6O/c1-15-27-23(33-30-15)17-5-3-16(4-6-17)7-10-32-11-8-18(9-12-32)28-24-29-21-13-19(25)20(26)14-22(21)31(24)2/h3-6,13-14,18H,7-12H2,1-2H3,(H,28,29)
InChIKeyDJANIOZYQRVUJH-UHFFFAOYSA-N
MW485.42 g/mol
LogP5.36
Rot. Bonds6

About 5,6-dichloro-1-methyl-N-[1-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]piperidin-4-yl]benzimidazol-2-amine

5,6-dichloro-1-methyl-N-[1-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]piperidin-4-yl]benzimidazol-2-amine (PubChem CID 171345148) has the molecular formula C24H26Cl2N6O and a molecular weight of 485.42 g/mol. Its IUPAC name is 5,6-dichloro-1-methyl-N-[1-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]piperidin-4-yl]benzimidazol-2-amine.

Molecular Properties

Compound Name5,6-dichloro-1-methyl-N-[1-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]piperidin-4-yl]benzimidazol-2-amine
PubChem CID171345148
Molecular FormulaC24H26Cl2N6O
Molecular Weight485.42 g/mol
Exact Mass484.15
IUPAC Name5,6-dichloro-1-methyl-N-[1-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]piperidin-4-yl]benzimidazol-2-amine
SMILESCc1noc(-c2ccc(CCN3CCC(Nc4nc5cc(Cl)c(Cl)cc5n4C)CC3)cc2)n1
InChIInChI=1S/C24H26Cl2N6O/c1-15-27-23(33-30-15)17-5-3-16(4-6-17)7-10-32-11-8-18(9-12-32)28-24-29-21-13-19(25)20(26)14-22(21)31(24)2/h3-6,13-14,18H,7-12H2,1-2H3,(H,28,29)
InChIKeyDJANIOZYQRVUJH-UHFFFAOYSA-N
XLogP5.36
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.42
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-1-methyl-N-[1-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]piperidin-4-yl]benzimidazol-2-amine?
The IUPAC name of 5,6-dichloro-1-methyl-N-[1-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]piperidin-4-yl]benzimidazol-2-amine (CID 171345148) is 5,6-dichloro-1-methyl-N-[1-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]piperidin-4-yl]benzimidazol-2-amine.
What is the SMILES notation for 5,6-dichloro-1-methyl-N-[1-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]piperidin-4-yl]benzimidazol-2-amine?
The canonical SMILES for 5,6-dichloro-1-methyl-N-[1-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]piperidin-4-yl]benzimidazol-2-amine is Cc1noc(-c2ccc(CCN3CCC(Nc4nc5cc(Cl)c(Cl)cc5n4C)CC3)cc2)n1.
What is the InChIKey of 5,6-dichloro-1-methyl-N-[1-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]piperidin-4-yl]benzimidazol-2-amine?
The InChIKey is DJANIOZYQRVUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N6O/c1-15-27-23(33-30-15)17-5-3-16(4-6-17)7-10-32-11-8-18(9-12-32)28-24-29-21-13-19(25)20(26)14-22(21)31(24)2/h3-6,13-14,18H,7-12H2,1-2H3,(H,28,29).
What are the key properties of 5,6-dichloro-1-methyl-N-[1-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]piperidin-4-yl]benzimidazol-2-amine?
5,6-dichloro-1-methyl-N-[1-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]piperidin-4-yl]benzimidazol-2-amine has a molecular weight of 485.42 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-1-methyl-N-[1-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]piperidin-4-yl]benzimidazol-2-amine is sourced from PubChem (CID 171345148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).