4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol

C20H23N3O2 — CID 861991

IUPAC4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol
SMILESCOc1cc(-c2nc3ccccn3c2NC2CCCCC2)ccc1O
InChIInChI=1S/C20H23N3O2/c1-25-17-13-14(10-11-16(17)24)19-20(21-15-7-3-2-4-8-15)23-12-6-5-9-18(23)22-19/h5-6,9-13,15,21,24H,2-4,7-8H2,1H3
InChIKeyGWNSPPWPDNWKTM-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.46
Rot. Bonds4

About 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol

4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol (PubChem CID 861991) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol
PubChem CID861991
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol
SMILESCOc1cc(-c2nc3ccccn3c2NC2CCCCC2)ccc1O
InChIInChI=1S/C20H23N3O2/c1-25-17-13-14(10-11-16(17)24)19-20(21-15-7-3-2-4-8-15)23-12-6-5-9-18(23)22-19/h5-6,9-13,15,21,24H,2-4,7-8H2,1H3
InChIKeyGWNSPPWPDNWKTM-UHFFFAOYSA-N
XLogP4.46
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol?
The IUPAC name of 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol (CID 861991) is 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol?
The canonical SMILES for 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol is COc1cc(-c2nc3ccccn3c2NC2CCCCC2)ccc1O.
What is the InChIKey of 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol?
The InChIKey is GWNSPPWPDNWKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-25-17-13-14(10-11-16(17)24)19-20(21-15-7-3-2-4-8-15)23-12-6-5-9-18(23)22-19/h5-6,9-13,15,21,24H,2-4,7-8H2,1H3.
What are the key properties of 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol?
4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol has a molecular weight of 337.42 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol is sourced from PubChem (CID 861991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).