2-[2-[1,3-bis(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-2-ylidene]-3-(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-1-yl]-4,5-dimethyl-1,3-thiazole

C34H32N8S4 — CID 134429181

IUPAC2-[2-[1,3-bis(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-2-ylidene]-3-(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-1-yl]-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(N2C(=C3N(c4nc(C)c(C)s4)c4ccccc4N3c3nc(C)c(C)s3)N(c3nc(C)c(C)s3)c3ccccc32)sc1C
InChIInChI=1S/C34H32N8S4/c1-17-21(5)43-31(35-17)39-25-13-9-10-14-26(25)40(32-36-18(2)22(6)44-32)29(39)30-41(33-37-19(3)23(7)45-33)27-15-11-12-16-28(27)42(30)34-38-20(4)24(8)46-34/h9-16H,1-8H3
InChIKeyJIVHEGAURXEATN-UHFFFAOYSA-N
MW680.95 g/mol
LogP10.39
Rot. Bonds4

About 2-[2-[1,3-bis(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-2-ylidene]-3-(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-1-yl]-4,5-dimethyl-1,3-thiazole

2-[2-[1,3-bis(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-2-ylidene]-3-(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-1-yl]-4,5-dimethyl-1,3-thiazole (PubChem CID 134429181) has the molecular formula C34H32N8S4 and a molecular weight of 680.95 g/mol. Its IUPAC name is 2-[2-[1,3-bis(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-2-ylidene]-3-(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-1-yl]-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[1,3-bis(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-2-ylidene]-3-(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-1-yl]-4,5-dimethyl-1,3-thiazole
PubChem CID134429181
Molecular FormulaC34H32N8S4
Molecular Weight680.95 g/mol
Exact Mass680.16
IUPAC Name2-[2-[1,3-bis(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-2-ylidene]-3-(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-1-yl]-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(N2C(=C3N(c4nc(C)c(C)s4)c4ccccc4N3c3nc(C)c(C)s3)N(c3nc(C)c(C)s3)c3ccccc32)sc1C
InChIInChI=1S/C34H32N8S4/c1-17-21(5)43-31(35-17)39-25-13-9-10-14-26(25)40(32-36-18(2)22(6)44-32)29(39)30-41(33-37-19(3)23(7)45-33)27-15-11-12-16-28(27)42(30)34-38-20(4)24(8)46-34/h9-16H,1-8H3
InChIKeyJIVHEGAURXEATN-UHFFFAOYSA-N
XLogP10.39
TPSA64.52 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500680.95
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1,3-bis(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-2-ylidene]-3-(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-1-yl]-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-[2-[1,3-bis(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-2-ylidene]-3-(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-1-yl]-4,5-dimethyl-1,3-thiazole (CID 134429181) is 2-[2-[1,3-bis(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-2-ylidene]-3-(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-1-yl]-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-[2-[1,3-bis(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-2-ylidene]-3-(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-1-yl]-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-[2-[1,3-bis(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-2-ylidene]-3-(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-1-yl]-4,5-dimethyl-1,3-thiazole is Cc1nc(N2C(=C3N(c4nc(C)c(C)s4)c4ccccc4N3c3nc(C)c(C)s3)N(c3nc(C)c(C)s3)c3ccccc32)sc1C.
What is the InChIKey of 2-[2-[1,3-bis(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-2-ylidene]-3-(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-1-yl]-4,5-dimethyl-1,3-thiazole?
The InChIKey is JIVHEGAURXEATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N8S4/c1-17-21(5)43-31(35-17)39-25-13-9-10-14-26(25)40(32-36-18(2)22(6)44-32)29(39)30-41(33-37-19(3)23(7)45-33)27-15-11-12-16-28(27)42(30)34-38-20(4)24(8)46-34/h9-16H,1-8H3.
What are the key properties of 2-[2-[1,3-bis(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-2-ylidene]-3-(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-1-yl]-4,5-dimethyl-1,3-thiazole?
2-[2-[1,3-bis(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-2-ylidene]-3-(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-1-yl]-4,5-dimethyl-1,3-thiazole has a molecular weight of 680.95 g/mol, XLogP of 10.39, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1,3-bis(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-2-ylidene]-3-(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-1-yl]-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 134429181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).