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

C28H26N4 — CID 71583660

IUPACN-cyclohexyl-4-(2-naphthalen-2-ylbenzimidazol-1-yl)pyridin-2-amine
SMILESc1ccc2cc(-c3nc4ccccc4n3-c3ccnc(NC4CCCCC4)c3)ccc2c1
InChIInChI=1S/C28H26N4/c1-2-10-23(11-3-1)30-27-19-24(16-17-29-27)32-26-13-7-6-12-25(26)31-28(32)22-15-14-20-8-4-5-9-21(20)18-22/h4-9,12-19,23H,1-3,10-11H2,(H,29,30)
InChIKeyIGWWQFBSMMAYKV-UHFFFAOYSA-N
MW418.54 g/mol
LogP6.99
Rot. Bonds4

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

N-cyclohexyl-4-(2-naphthalen-2-ylbenzimidazol-1-yl)pyridin-2-amine (PubChem CID 71583660) has the molecular formula C28H26N4 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-cyclohexyl-4-(2-naphthalen-2-ylbenzimidazol-1-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-(2-naphthalen-2-ylbenzimidazol-1-yl)pyridin-2-amine
PubChem CID71583660
Molecular FormulaC28H26N4
Molecular Weight418.54 g/mol
Exact Mass418.22
IUPAC NameN-cyclohexyl-4-(2-naphthalen-2-ylbenzimidazol-1-yl)pyridin-2-amine
SMILESc1ccc2cc(-c3nc4ccccc4n3-c3ccnc(NC4CCCCC4)c3)ccc2c1
InChIInChI=1S/C28H26N4/c1-2-10-23(11-3-1)30-27-19-24(16-17-29-27)32-26-13-7-6-12-25(26)31-28(32)22-15-14-20-8-4-5-9-21(20)18-22/h4-9,12-19,23H,1-3,10-11H2,(H,29,30)
InChIKeyIGWWQFBSMMAYKV-UHFFFAOYSA-N
XLogP6.99
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2-naphthalen-2-ylbenzimidazol-1-yl)pyridin-2-amine?
The IUPAC name of N-cyclohexyl-4-(2-naphthalen-2-ylbenzimidazol-1-yl)pyridin-2-amine (CID 71583660) is N-cyclohexyl-4-(2-naphthalen-2-ylbenzimidazol-1-yl)pyridin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-(2-naphthalen-2-ylbenzimidazol-1-yl)pyridin-2-amine?
The canonical SMILES for N-cyclohexyl-4-(2-naphthalen-2-ylbenzimidazol-1-yl)pyridin-2-amine is c1ccc2cc(-c3nc4ccccc4n3-c3ccnc(NC4CCCCC4)c3)ccc2c1.
What is the InChIKey of N-cyclohexyl-4-(2-naphthalen-2-ylbenzimidazol-1-yl)pyridin-2-amine?
The InChIKey is IGWWQFBSMMAYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4/c1-2-10-23(11-3-1)30-27-19-24(16-17-29-27)32-26-13-7-6-12-25(26)31-28(32)22-15-14-20-8-4-5-9-21(20)18-22/h4-9,12-19,23H,1-3,10-11H2,(H,29,30).
What are the key properties of N-cyclohexyl-4-(2-naphthalen-2-ylbenzimidazol-1-yl)pyridin-2-amine?
N-cyclohexyl-4-(2-naphthalen-2-ylbenzimidazol-1-yl)pyridin-2-amine has a molecular weight of 418.54 g/mol, XLogP of 6.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2-naphthalen-2-ylbenzimidazol-1-yl)pyridin-2-amine is sourced from PubChem (CID 71583660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).