2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole

C24H22N4O2 — CID 153404282

IUPAC2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole
SMILESCOc1cc2nc(-c3ccc(-c4nc5cc(C)c(C)cc5[nH]4)cc3)[nH]c2cc1OC
InChIInChI=1S/C24H22N4O2/c1-13-9-17-18(10-14(13)2)26-23(25-17)15-5-7-16(8-6-15)24-27-19-11-21(29-3)22(30-4)12-20(19)28-24/h5-12H,1-4H3,(H,25,26)(H,27,28)
InChIKeyAIQDXHKXXGHKFV-UHFFFAOYSA-N
MW398.47 g/mol
LogP5.41
Rot. Bonds4

About 2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole

2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole (PubChem CID 153404282) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole
PubChem CID153404282
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole
SMILESCOc1cc2nc(-c3ccc(-c4nc5cc(C)c(C)cc5[nH]4)cc3)[nH]c2cc1OC
InChIInChI=1S/C24H22N4O2/c1-13-9-17-18(10-14(13)2)26-23(25-17)15-5-7-16(8-6-15)24-27-19-11-21(29-3)22(30-4)12-20(19)28-24/h5-12H,1-4H3,(H,25,26)(H,27,28)
InChIKeyAIQDXHKXXGHKFV-UHFFFAOYSA-N
XLogP5.41
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 14641349
2-(3-bromo-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110534918
2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5,6-dimethyl-1H-benzimidazole
CID 110534214
5,6-dimethoxy-2-[4-(2-methylpropoxy)phenyl]-1H-benzimidazole
CID 110537311
2-(3-methoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 110535216
5-(5,6-dimethoxy-1H-benzimidazol-2-yl)benzene-1,3-diamine
CID 107811507
2-(2,5-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 62337492
4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzaldehyde
CID 18426791
2-[4-fluoro-3-(trifluoromethyl)phenyl]-5,6-dimethoxy-1H-benzimidazole
CID 142742969
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylphenol
CID 136751417
5,6-dimethyl-2-[4-(1,2,2-triphenylethenyl)phenyl]-1H-benzimidazole
CID 139202619
2-(3-bromo-4-ethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110533986

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole (CID 153404282) is 2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole is COc1cc2nc(-c3ccc(-c4nc5cc(C)c(C)cc5[nH]4)cc3)[nH]c2cc1OC.
What is the InChIKey of 2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole?
The InChIKey is AIQDXHKXXGHKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-13-9-17-18(10-14(13)2)26-23(25-17)15-5-7-16(8-6-15)24-27-19-11-21(29-3)22(30-4)12-20(19)28-24/h5-12H,1-4H3,(H,25,26)(H,27,28).
What are the key properties of 2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole?
2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole has a molecular weight of 398.47 g/mol, XLogP of 5.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 153404282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).