4-[2-tert-butyl-4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine

C29H35N5O2 — CID 10163166

IUPAC4-[2-tert-butyl-4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine
SMILESCOc1ccc2cc(-c3nc(C(C)(C)C)[nH]c3-c3ccnc(NCCN4CCOCC4)c3)ccc2c1
InChIInChI=1S/C29H35N5O2/c1-29(2,3)28-32-26(22-6-5-21-18-24(35-4)8-7-20(21)17-22)27(33-28)23-9-10-30-25(19-23)31-11-12-34-13-15-36-16-14-34/h5-10,17-19H,11-16H2,1-4H3,(H,30,31)(H,32,33)
InChIKeyXGTUPXIMSYHANN-UHFFFAOYSA-N
MW485.63 g/mol
LogP5.34
Rot. Bonds7

About 4-[2-tert-butyl-4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine

4-[2-tert-butyl-4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine (PubChem CID 10163166) has the molecular formula C29H35N5O2 and a molecular weight of 485.63 g/mol. Its IUPAC name is 4-[2-tert-butyl-4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[2-tert-butyl-4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine
PubChem CID10163166
Molecular FormulaC29H35N5O2
Molecular Weight485.63 g/mol
Exact Mass485.28
IUPAC Name4-[2-tert-butyl-4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine
SMILESCOc1ccc2cc(-c3nc(C(C)(C)C)[nH]c3-c3ccnc(NCCN4CCOCC4)c3)ccc2c1
InChIInChI=1S/C29H35N5O2/c1-29(2,3)28-32-26(22-6-5-21-18-24(35-4)8-7-20(21)17-22)27(33-28)23-9-10-30-25(19-23)31-11-12-34-13-15-36-16-14-34/h5-10,17-19H,11-16H2,1-4H3,(H,30,31)(H,32,33)
InChIKeyXGTUPXIMSYHANN-UHFFFAOYSA-N
XLogP5.34
TPSA75.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.63
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-tert-butyl-4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine?
The IUPAC name of 4-[2-tert-butyl-4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine (CID 10163166) is 4-[2-tert-butyl-4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine.
What is the SMILES notation for 4-[2-tert-butyl-4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine?
The canonical SMILES for 4-[2-tert-butyl-4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine is COc1ccc2cc(-c3nc(C(C)(C)C)[nH]c3-c3ccnc(NCCN4CCOCC4)c3)ccc2c1.
What is the InChIKey of 4-[2-tert-butyl-4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine?
The InChIKey is XGTUPXIMSYHANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O2/c1-29(2,3)28-32-26(22-6-5-21-18-24(35-4)8-7-20(21)17-22)27(33-28)23-9-10-30-25(19-23)31-11-12-34-13-15-36-16-14-34/h5-10,17-19H,11-16H2,1-4H3,(H,30,31)(H,32,33).
What are the key properties of 4-[2-tert-butyl-4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine?
4-[2-tert-butyl-4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine has a molecular weight of 485.63 g/mol, XLogP of 5.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-tert-butyl-4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine is sourced from PubChem (CID 10163166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).