1-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]naphthalen-2-ol

C25H22N2OS2 — CID 139199779

IUPAC1-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]naphthalen-2-ol
SMILESCc1cc(-c2nc(-c3c(O)ccc4ccccc34)[nH]c2-c2cc(C)sc2C)c(C)s1
InChIInChI=1S/C25H22N2OS2/c1-13-11-19(15(3)29-13)23-24(20-12-14(2)30-16(20)4)27-25(26-23)22-18-8-6-5-7-17(18)9-10-21(22)28/h5-12,28H,1-4H3,(H,26,27)
InChIKeyLOHSNXXVFDCOCL-UHFFFAOYSA-N
MW430.60 g/mol
LogP7.63
Rot. Bonds3

About 1-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]naphthalen-2-ol

1-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]naphthalen-2-ol (PubChem CID 139199779) has the molecular formula C25H22N2OS2 and a molecular weight of 430.60 g/mol. Its IUPAC name is 1-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]naphthalen-2-ol
PubChem CID139199779
Molecular FormulaC25H22N2OS2
Molecular Weight430.60 g/mol
Exact Mass430.12
IUPAC Name1-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]naphthalen-2-ol
SMILESCc1cc(-c2nc(-c3c(O)ccc4ccccc34)[nH]c2-c2cc(C)sc2C)c(C)s1
InChIInChI=1S/C25H22N2OS2/c1-13-11-19(15(3)29-13)23-24(20-12-14(2)30-16(20)4)27-25(26-23)22-18-8-6-5-7-17(18)9-10-21(22)28/h5-12,28H,1-4H3,(H,26,27)
InChIKeyLOHSNXXVFDCOCL-UHFFFAOYSA-N
XLogP7.63
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.60
LogP ≤ 57.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]naphthalen-2-ol?
The IUPAC name of 1-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]naphthalen-2-ol (CID 139199779) is 1-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]naphthalen-2-ol.
What is the SMILES notation for 1-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]naphthalen-2-ol?
The canonical SMILES for 1-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]naphthalen-2-ol is Cc1cc(-c2nc(-c3c(O)ccc4ccccc34)[nH]c2-c2cc(C)sc2C)c(C)s1.
What is the InChIKey of 1-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]naphthalen-2-ol?
The InChIKey is LOHSNXXVFDCOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2OS2/c1-13-11-19(15(3)29-13)23-24(20-12-14(2)30-16(20)4)27-25(26-23)22-18-8-6-5-7-17(18)9-10-21(22)28/h5-12,28H,1-4H3,(H,26,27).
What are the key properties of 1-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]naphthalen-2-ol?
1-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]naphthalen-2-ol has a molecular weight of 430.60 g/mol, XLogP of 7.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]naphthalen-2-ol is sourced from PubChem (CID 139199779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).