1-methyl-3-[[16-[(3-methyl-2H-benzimidazol-1-yl)methyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]-2H-benzimidazole

C34H34N4 — CID 59582452

IUPAC1-methyl-3-[[16-[(3-methyl-2H-benzimidazol-1-yl)methyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]-2H-benzimidazole
SMILESCN1CN(CC2C3c4ccccc4C(c4ccccc43)C2CN2CN(C)c3ccccc32)c2ccccc21
InChIInChI=1S/C34H34N4/c1-35-21-37(31-17-9-7-15-29(31)35)19-27-28(20-38-22-36(2)30-16-8-10-18-32(30)38)34-25-13-5-3-11-23(25)33(27)24-12-4-6-14-26(24)34/h3-18,27-28,33-34H,19-22H2,1-2H3
InChIKeyICVJMBRPEROESJ-UHFFFAOYSA-N
MW498.67 g/mol
LogP6.34
Rot. Bonds4

About 1-methyl-3-[[16-[(3-methyl-2H-benzimidazol-1-yl)methyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]-2H-benzimidazole

1-methyl-3-[[16-[(3-methyl-2H-benzimidazol-1-yl)methyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]-2H-benzimidazole (PubChem CID 59582452) has the molecular formula C34H34N4 and a molecular weight of 498.67 g/mol. Its IUPAC name is 1-methyl-3-[[16-[(3-methyl-2H-benzimidazol-1-yl)methyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]-2H-benzimidazole.

Molecular Properties

Compound Name1-methyl-3-[[16-[(3-methyl-2H-benzimidazol-1-yl)methyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]-2H-benzimidazole
PubChem CID59582452
Molecular FormulaC34H34N4
Molecular Weight498.67 g/mol
Exact Mass498.28
IUPAC Name1-methyl-3-[[16-[(3-methyl-2H-benzimidazol-1-yl)methyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]-2H-benzimidazole
SMILESCN1CN(CC2C3c4ccccc4C(c4ccccc43)C2CN2CN(C)c3ccccc32)c2ccccc21
InChIInChI=1S/C34H34N4/c1-35-21-37(31-17-9-7-15-29(31)35)19-27-28(20-38-22-36(2)30-16-8-10-18-32(30)38)34-25-13-5-3-11-23(25)33(27)24-12-4-6-14-26(24)34/h3-18,27-28,33-34H,19-22H2,1-2H3
InChIKeyICVJMBRPEROESJ-UHFFFAOYSA-N
XLogP6.34
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.67
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-3-[[16-[(3-methyl-2H-benzimidazol-1-yl)methyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]-2H-benzimidazole with MolForge

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Related Compounds

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CID 173351817
1-methyl-3-nonyl-2H-benzimidazole
CID 138678028
amino-[(3-methyl-2H-benzimidazol-1-yl)methyl]-diphenylphosphanium
CID 170240183
2-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethanone;hydrochloride
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CID 80567239
1-methyl-3-oxido-2H-benzimidazole
CID 173249614
1-methyl-2,3-dihydroindole-3-thiol
CID 123600877
10-methyl-9-(10-methyl-9H-acridin-9-yl)-9H-acridine
CID 11079635
(5R)-12-methyl-12-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6,8,10,13,15-hexaene
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2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[16-[(3-methyl-2H-benzimidazol-1-yl)methyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]-2H-benzimidazole?
The IUPAC name of 1-methyl-3-[[16-[(3-methyl-2H-benzimidazol-1-yl)methyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]-2H-benzimidazole (CID 59582452) is 1-methyl-3-[[16-[(3-methyl-2H-benzimidazol-1-yl)methyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]-2H-benzimidazole.
What is the SMILES notation for 1-methyl-3-[[16-[(3-methyl-2H-benzimidazol-1-yl)methyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]-2H-benzimidazole?
The canonical SMILES for 1-methyl-3-[[16-[(3-methyl-2H-benzimidazol-1-yl)methyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]-2H-benzimidazole is CN1CN(CC2C3c4ccccc4C(c4ccccc43)C2CN2CN(C)c3ccccc32)c2ccccc21.
What is the InChIKey of 1-methyl-3-[[16-[(3-methyl-2H-benzimidazol-1-yl)methyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]-2H-benzimidazole?
The InChIKey is ICVJMBRPEROESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4/c1-35-21-37(31-17-9-7-15-29(31)35)19-27-28(20-38-22-36(2)30-16-8-10-18-32(30)38)34-25-13-5-3-11-23(25)33(27)24-12-4-6-14-26(24)34/h3-18,27-28,33-34H,19-22H2,1-2H3.
What are the key properties of 1-methyl-3-[[16-[(3-methyl-2H-benzimidazol-1-yl)methyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]-2H-benzimidazole?
1-methyl-3-[[16-[(3-methyl-2H-benzimidazol-1-yl)methyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]-2H-benzimidazole has a molecular weight of 498.67 g/mol, XLogP of 6.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[16-[(3-methyl-2H-benzimidazol-1-yl)methyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]-2H-benzimidazole is sourced from PubChem (CID 59582452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).