4-(2-naphthalen-2-ylbenzimidazol-1-yl)-N-(oxan-4-yl)pyridin-2-amine

C27H24N4O — CID 71583766

IUPAC4-(2-naphthalen-2-ylbenzimidazol-1-yl)-N-(oxan-4-yl)pyridin-2-amine
SMILESc1ccc2cc(-c3nc4ccccc4n3-c3ccnc(NC4CCOCC4)c3)ccc2c1
InChIInChI=1S/C27H24N4O/c1-2-6-20-17-21(10-9-19(20)5-1)27-30-24-7-3-4-8-25(24)31(27)23-11-14-28-26(18-23)29-22-12-15-32-16-13-22/h1-11,14,17-18,22H,12-13,15-16H2,(H,28,29)
InChIKeyJZQQOKUENCAWLR-UHFFFAOYSA-N
MW420.52 g/mol
LogP5.83
Rot. Bonds4

About 4-(2-naphthalen-2-ylbenzimidazol-1-yl)-N-(oxan-4-yl)pyridin-2-amine

4-(2-naphthalen-2-ylbenzimidazol-1-yl)-N-(oxan-4-yl)pyridin-2-amine (PubChem CID 71583766) has the molecular formula C27H24N4O and a molecular weight of 420.52 g/mol. Its IUPAC name is 4-(2-naphthalen-2-ylbenzimidazol-1-yl)-N-(oxan-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-(2-naphthalen-2-ylbenzimidazol-1-yl)-N-(oxan-4-yl)pyridin-2-amine
PubChem CID71583766
Molecular FormulaC27H24N4O
Molecular Weight420.52 g/mol
Exact Mass420.20
IUPAC Name4-(2-naphthalen-2-ylbenzimidazol-1-yl)-N-(oxan-4-yl)pyridin-2-amine
SMILESc1ccc2cc(-c3nc4ccccc4n3-c3ccnc(NC4CCOCC4)c3)ccc2c1
InChIInChI=1S/C27H24N4O/c1-2-6-20-17-21(10-9-19(20)5-1)27-30-24-7-3-4-8-25(24)31(27)23-11-14-28-26(18-23)29-22-12-15-32-16-13-22/h1-11,14,17-18,22H,12-13,15-16H2,(H,28,29)
InChIKeyJZQQOKUENCAWLR-UHFFFAOYSA-N
XLogP5.83
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.52
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-naphthalen-2-ylbenzimidazol-1-yl)-N-(oxan-4-yl)pyridin-2-amine?
The IUPAC name of 4-(2-naphthalen-2-ylbenzimidazol-1-yl)-N-(oxan-4-yl)pyridin-2-amine (CID 71583766) is 4-(2-naphthalen-2-ylbenzimidazol-1-yl)-N-(oxan-4-yl)pyridin-2-amine.
What is the SMILES notation for 4-(2-naphthalen-2-ylbenzimidazol-1-yl)-N-(oxan-4-yl)pyridin-2-amine?
The canonical SMILES for 4-(2-naphthalen-2-ylbenzimidazol-1-yl)-N-(oxan-4-yl)pyridin-2-amine is c1ccc2cc(-c3nc4ccccc4n3-c3ccnc(NC4CCOCC4)c3)ccc2c1.
What is the InChIKey of 4-(2-naphthalen-2-ylbenzimidazol-1-yl)-N-(oxan-4-yl)pyridin-2-amine?
The InChIKey is JZQQOKUENCAWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O/c1-2-6-20-17-21(10-9-19(20)5-1)27-30-24-7-3-4-8-25(24)31(27)23-11-14-28-26(18-23)29-22-12-15-32-16-13-22/h1-11,14,17-18,22H,12-13,15-16H2,(H,28,29).
What are the key properties of 4-(2-naphthalen-2-ylbenzimidazol-1-yl)-N-(oxan-4-yl)pyridin-2-amine?
4-(2-naphthalen-2-ylbenzimidazol-1-yl)-N-(oxan-4-yl)pyridin-2-amine has a molecular weight of 420.52 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-naphthalen-2-ylbenzimidazol-1-yl)-N-(oxan-4-yl)pyridin-2-amine is sourced from PubChem (CID 71583766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).