3-[2,4-bis(5-methylthiophen-2-yl)imidazol-1-yl]-9-methylcarbazole

C26H21N3S2 — CID 67510404

IUPAC3-[2,4-bis(5-methylthiophen-2-yl)imidazol-1-yl]-9-methylcarbazole
SMILESCc1ccc(-c2cn(-c3ccc4c(c3)c3ccccc3n4C)c(-c3ccc(C)s3)n2)s1
InChIInChI=1S/C26H21N3S2/c1-16-8-12-24(30-16)21-15-29(26(27-21)25-13-9-17(2)31-25)18-10-11-23-20(14-18)19-6-4-5-7-22(19)28(23)3/h4-15H,1-3H3
InChIKeyNCMXWGOKYUYACT-UHFFFAOYSA-N
MW439.61 g/mol
LogP7.59
Rot. Bonds3

About 3-[2,4-bis(5-methylthiophen-2-yl)imidazol-1-yl]-9-methylcarbazole

3-[2,4-bis(5-methylthiophen-2-yl)imidazol-1-yl]-9-methylcarbazole (PubChem CID 67510404) has the molecular formula C26H21N3S2 and a molecular weight of 439.61 g/mol. Its IUPAC name is 3-[2,4-bis(5-methylthiophen-2-yl)imidazol-1-yl]-9-methylcarbazole.

Molecular Properties

Compound Name3-[2,4-bis(5-methylthiophen-2-yl)imidazol-1-yl]-9-methylcarbazole
PubChem CID67510404
Molecular FormulaC26H21N3S2
Molecular Weight439.61 g/mol
Exact Mass439.12
IUPAC Name3-[2,4-bis(5-methylthiophen-2-yl)imidazol-1-yl]-9-methylcarbazole
SMILESCc1ccc(-c2cn(-c3ccc4c(c3)c3ccccc3n4C)c(-c3ccc(C)s3)n2)s1
InChIInChI=1S/C26H21N3S2/c1-16-8-12-24(30-16)21-15-29(26(27-21)25-13-9-17(2)31-25)18-10-11-23-20(14-18)19-6-4-5-7-22(19)28(23)3/h4-15H,1-3H3
InChIKeyNCMXWGOKYUYACT-UHFFFAOYSA-N
XLogP7.59
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.61
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2,4-bis(5-methylthiophen-2-yl)imidazol-1-yl]-9-methylcarbazole?
The IUPAC name of 3-[2,4-bis(5-methylthiophen-2-yl)imidazol-1-yl]-9-methylcarbazole (CID 67510404) is 3-[2,4-bis(5-methylthiophen-2-yl)imidazol-1-yl]-9-methylcarbazole.
What is the SMILES notation for 3-[2,4-bis(5-methylthiophen-2-yl)imidazol-1-yl]-9-methylcarbazole?
The canonical SMILES for 3-[2,4-bis(5-methylthiophen-2-yl)imidazol-1-yl]-9-methylcarbazole is Cc1ccc(-c2cn(-c3ccc4c(c3)c3ccccc3n4C)c(-c3ccc(C)s3)n2)s1.
What is the InChIKey of 3-[2,4-bis(5-methylthiophen-2-yl)imidazol-1-yl]-9-methylcarbazole?
The InChIKey is NCMXWGOKYUYACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3S2/c1-16-8-12-24(30-16)21-15-29(26(27-21)25-13-9-17(2)31-25)18-10-11-23-20(14-18)19-6-4-5-7-22(19)28(23)3/h4-15H,1-3H3.
What are the key properties of 3-[2,4-bis(5-methylthiophen-2-yl)imidazol-1-yl]-9-methylcarbazole?
3-[2,4-bis(5-methylthiophen-2-yl)imidazol-1-yl]-9-methylcarbazole has a molecular weight of 439.61 g/mol, XLogP of 7.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-bis(5-methylthiophen-2-yl)imidazol-1-yl]-9-methylcarbazole is sourced from PubChem (CID 67510404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).