1-methyl-2-[3-[8-[3-(3-methyl-1,2-dihydrobenzimidazol-2-yl)phenyl]naphthalen-1-yl]phenyl]benzimidazole

C38H30N4 — CID 144939160

IUPAC1-methyl-2-[3-[8-[3-(3-methyl-1,2-dihydrobenzimidazol-2-yl)phenyl]naphthalen-1-yl]phenyl]benzimidazole
SMILESCN1c2ccccc2NC1c1cccc(-c2cccc3cccc(-c4cccc(-c5nc6ccccc6n5C)c4)c23)c1
InChIInChI=1S/C38H30N4/c1-41-34-21-5-3-19-32(34)39-37(41)28-15-7-13-26(23-28)30-17-9-11-25-12-10-18-31(36(25)30)27-14-8-16-29(24-27)38-40-33-20-4-6-22-35(33)42(38)2/h3-24,37,39H,1-2H3
InChIKeyVRCLARVDOVTWSA-UHFFFAOYSA-N
MW542.69 g/mol
LogP9.29
Rot. Bonds4

About 1-methyl-2-[3-[8-[3-(3-methyl-1,2-dihydrobenzimidazol-2-yl)phenyl]naphthalen-1-yl]phenyl]benzimidazole

1-methyl-2-[3-[8-[3-(3-methyl-1,2-dihydrobenzimidazol-2-yl)phenyl]naphthalen-1-yl]phenyl]benzimidazole (PubChem CID 144939160) has the molecular formula C38H30N4 and a molecular weight of 542.69 g/mol. Its IUPAC name is 1-methyl-2-[3-[8-[3-(3-methyl-1,2-dihydrobenzimidazol-2-yl)phenyl]naphthalen-1-yl]phenyl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[3-[8-[3-(3-methyl-1,2-dihydrobenzimidazol-2-yl)phenyl]naphthalen-1-yl]phenyl]benzimidazole
PubChem CID144939160
Molecular FormulaC38H30N4
Molecular Weight542.69 g/mol
Exact Mass542.25
IUPAC Name1-methyl-2-[3-[8-[3-(3-methyl-1,2-dihydrobenzimidazol-2-yl)phenyl]naphthalen-1-yl]phenyl]benzimidazole
SMILESCN1c2ccccc2NC1c1cccc(-c2cccc3cccc(-c4cccc(-c5nc6ccccc6n5C)c4)c23)c1
InChIInChI=1S/C38H30N4/c1-41-34-21-5-3-19-32(34)39-37(41)28-15-7-13-26(23-28)30-17-9-11-25-12-10-18-31(36(25)30)27-14-8-16-29(24-27)38-40-33-20-4-6-22-35(33)42(38)2/h3-24,37,39H,1-2H3
InChIKeyVRCLARVDOVTWSA-UHFFFAOYSA-N
XLogP9.29
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.69
LogP ≤ 59.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[3-[8-[3-(3-methyl-1,2-dihydrobenzimidazol-2-yl)phenyl]naphthalen-1-yl]phenyl]benzimidazole?
The IUPAC name of 1-methyl-2-[3-[8-[3-(3-methyl-1,2-dihydrobenzimidazol-2-yl)phenyl]naphthalen-1-yl]phenyl]benzimidazole (CID 144939160) is 1-methyl-2-[3-[8-[3-(3-methyl-1,2-dihydrobenzimidazol-2-yl)phenyl]naphthalen-1-yl]phenyl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[3-[8-[3-(3-methyl-1,2-dihydrobenzimidazol-2-yl)phenyl]naphthalen-1-yl]phenyl]benzimidazole?
The canonical SMILES for 1-methyl-2-[3-[8-[3-(3-methyl-1,2-dihydrobenzimidazol-2-yl)phenyl]naphthalen-1-yl]phenyl]benzimidazole is CN1c2ccccc2NC1c1cccc(-c2cccc3cccc(-c4cccc(-c5nc6ccccc6n5C)c4)c23)c1.
What is the InChIKey of 1-methyl-2-[3-[8-[3-(3-methyl-1,2-dihydrobenzimidazol-2-yl)phenyl]naphthalen-1-yl]phenyl]benzimidazole?
The InChIKey is VRCLARVDOVTWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N4/c1-41-34-21-5-3-19-32(34)39-37(41)28-15-7-13-26(23-28)30-17-9-11-25-12-10-18-31(36(25)30)27-14-8-16-29(24-27)38-40-33-20-4-6-22-35(33)42(38)2/h3-24,37,39H,1-2H3.
What are the key properties of 1-methyl-2-[3-[8-[3-(3-methyl-1,2-dihydrobenzimidazol-2-yl)phenyl]naphthalen-1-yl]phenyl]benzimidazole?
1-methyl-2-[3-[8-[3-(3-methyl-1,2-dihydrobenzimidazol-2-yl)phenyl]naphthalen-1-yl]phenyl]benzimidazole has a molecular weight of 542.69 g/mol, XLogP of 9.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[3-[8-[3-(3-methyl-1,2-dihydrobenzimidazol-2-yl)phenyl]naphthalen-1-yl]phenyl]benzimidazole is sourced from PubChem (CID 144939160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).