2-(6,6-dimethyl-1H-benzimidazol-2-ylidene)-5,6-dimethyl-1,3-dihydrobenzimidazole

C18H20N4 — CID 152782322

IUPAC2-(6,6-dimethyl-1H-benzimidazol-2-ylidene)-5,6-dimethyl-1,3-dihydrobenzimidazole
SMILESCc1cc2c(cc1C)NC(=c1nc3c([nH]1)=CC(C)(C)C=C3)N2
InChIInChI=1S/C18H20N4/c1-10-7-13-14(8-11(10)2)21-17(20-13)16-19-12-5-6-18(3,4)9-15(12)22-16/h5-9,20-22H,1-4H3
InChIKeySIXUXALVZOVBIE-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.46
Rot. Bonds

About 2-(6,6-dimethyl-1H-benzimidazol-2-ylidene)-5,6-dimethyl-1,3-dihydrobenzimidazole

2-(6,6-dimethyl-1H-benzimidazol-2-ylidene)-5,6-dimethyl-1,3-dihydrobenzimidazole (PubChem CID 152782322) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 2-(6,6-dimethyl-1H-benzimidazol-2-ylidene)-5,6-dimethyl-1,3-dihydrobenzimidazole.

Molecular Properties

Compound Name2-(6,6-dimethyl-1H-benzimidazol-2-ylidene)-5,6-dimethyl-1,3-dihydrobenzimidazole
PubChem CID152782322
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name2-(6,6-dimethyl-1H-benzimidazol-2-ylidene)-5,6-dimethyl-1,3-dihydrobenzimidazole
SMILESCc1cc2c(cc1C)NC(=c1nc3c([nH]1)=CC(C)(C)C=C3)N2
InChIInChI=1S/C18H20N4/c1-10-7-13-14(8-11(10)2)21-17(20-13)16-19-12-5-6-18(3,4)9-15(12)22-16/h5-9,20-22H,1-4H3
InChIKeySIXUXALVZOVBIE-UHFFFAOYSA-N
XLogP2.46
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6,6-dimethyl-1H-benzimidazol-2-ylidene)-5,6-dimethyl-1,3-dihydrobenzimidazole?
The IUPAC name of 2-(6,6-dimethyl-1H-benzimidazol-2-ylidene)-5,6-dimethyl-1,3-dihydrobenzimidazole (CID 152782322) is 2-(6,6-dimethyl-1H-benzimidazol-2-ylidene)-5,6-dimethyl-1,3-dihydrobenzimidazole.
What is the SMILES notation for 2-(6,6-dimethyl-1H-benzimidazol-2-ylidene)-5,6-dimethyl-1,3-dihydrobenzimidazole?
The canonical SMILES for 2-(6,6-dimethyl-1H-benzimidazol-2-ylidene)-5,6-dimethyl-1,3-dihydrobenzimidazole is Cc1cc2c(cc1C)NC(=c1nc3c([nH]1)=CC(C)(C)C=C3)N2.
What is the InChIKey of 2-(6,6-dimethyl-1H-benzimidazol-2-ylidene)-5,6-dimethyl-1,3-dihydrobenzimidazole?
The InChIKey is SIXUXALVZOVBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-10-7-13-14(8-11(10)2)21-17(20-13)16-19-12-5-6-18(3,4)9-15(12)22-16/h5-9,20-22H,1-4H3.
What are the key properties of 2-(6,6-dimethyl-1H-benzimidazol-2-ylidene)-5,6-dimethyl-1,3-dihydrobenzimidazole?
2-(6,6-dimethyl-1H-benzimidazol-2-ylidene)-5,6-dimethyl-1,3-dihydrobenzimidazole has a molecular weight of 292.39 g/mol, XLogP of 2.46, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-dimethyl-1H-benzimidazol-2-ylidene)-5,6-dimethyl-1,3-dihydrobenzimidazole is sourced from PubChem (CID 152782322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).