3-[3-(carbazol-9-ylmethyl)-4-methylphenyl]-5-methylbenzimidazolo[1,2-a]benzimidazole

C34H26N4 — CID 138571550

IUPAC3-[3-(carbazol-9-ylmethyl)-4-methylphenyl]-5-methylbenzimidazolo[1,2-a]benzimidazole
SMILESCc1ccc(-c2ccc3c(c2)n(C)c2nc4ccccc4n32)cc1Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C34H26N4/c1-22-15-16-23(19-25(22)21-37-29-12-6-3-9-26(29)27-10-4-7-13-30(27)37)24-17-18-32-33(20-24)36(2)34-35-28-11-5-8-14-31(28)38(32)34/h3-20H,21H2,1-2H3
InChIKeyOFWNZGLYWCHCDU-UHFFFAOYSA-N
MW490.61 g/mol
LogP8.11
Rot. Bonds3

About 3-[3-(carbazol-9-ylmethyl)-4-methylphenyl]-5-methylbenzimidazolo[1,2-a]benzimidazole

3-[3-(carbazol-9-ylmethyl)-4-methylphenyl]-5-methylbenzimidazolo[1,2-a]benzimidazole (PubChem CID 138571550) has the molecular formula C34H26N4 and a molecular weight of 490.61 g/mol. Its IUPAC name is 3-[3-(carbazol-9-ylmethyl)-4-methylphenyl]-5-methylbenzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name3-[3-(carbazol-9-ylmethyl)-4-methylphenyl]-5-methylbenzimidazolo[1,2-a]benzimidazole
PubChem CID138571550
Molecular FormulaC34H26N4
Molecular Weight490.61 g/mol
Exact Mass490.22
IUPAC Name3-[3-(carbazol-9-ylmethyl)-4-methylphenyl]-5-methylbenzimidazolo[1,2-a]benzimidazole
SMILESCc1ccc(-c2ccc3c(c2)n(C)c2nc4ccccc4n32)cc1Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C34H26N4/c1-22-15-16-23(19-25(22)21-37-29-12-6-3-9-26(29)27-10-4-7-13-30(27)37)24-17-18-32-33(20-24)36(2)34-35-28-11-5-8-14-31(28)38(32)34/h3-20H,21H2,1-2H3
InChIKeyOFWNZGLYWCHCDU-UHFFFAOYSA-N
XLogP8.11
TPSA27.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[3-(carbazol-9-ylmethyl)-4-methylphenyl]-5-methylbenzimidazolo[1,2-a]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-2-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 123753360
9-[(2,5-dimethylphenyl)methyl]carbazole
CID 174908792
3,23-dimethyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,21-decaene
CID 155082006
1-[(2-methylphenyl)methyl]-2-phenylbenzimidazole
CID 1320430
4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]aniline
CID 92629106
5-methylbenzimidazolo[2,1-b]quinazolin-12-one
CID 13458566
6-methylbenzimidazolo[1,2-a]quinazolin-5-one
CID 59232444
9,23-dimethyl-9,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene
CID 155082186
1,2,3-trimethylimidazo[1,2-a]benzimidazole
CID 157483248
9-[(9-methylcarbazol-4-yl)methyl]-3,6-diphenylcarbazole
CID 129306339
5-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 135379189
2-(4-methylphenyl)-1-(naphthalen-1-ylmethyl)benzimidazole
CID 18878804

Frequently Asked Questions

What is the IUPAC name of 3-[3-(carbazol-9-ylmethyl)-4-methylphenyl]-5-methylbenzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 3-[3-(carbazol-9-ylmethyl)-4-methylphenyl]-5-methylbenzimidazolo[1,2-a]benzimidazole (CID 138571550) is 3-[3-(carbazol-9-ylmethyl)-4-methylphenyl]-5-methylbenzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 3-[3-(carbazol-9-ylmethyl)-4-methylphenyl]-5-methylbenzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 3-[3-(carbazol-9-ylmethyl)-4-methylphenyl]-5-methylbenzimidazolo[1,2-a]benzimidazole is Cc1ccc(-c2ccc3c(c2)n(C)c2nc4ccccc4n32)cc1Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 3-[3-(carbazol-9-ylmethyl)-4-methylphenyl]-5-methylbenzimidazolo[1,2-a]benzimidazole?
The InChIKey is OFWNZGLYWCHCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N4/c1-22-15-16-23(19-25(22)21-37-29-12-6-3-9-26(29)27-10-4-7-13-30(27)37)24-17-18-32-33(20-24)36(2)34-35-28-11-5-8-14-31(28)38(32)34/h3-20H,21H2,1-2H3.
What are the key properties of 3-[3-(carbazol-9-ylmethyl)-4-methylphenyl]-5-methylbenzimidazolo[1,2-a]benzimidazole?
3-[3-(carbazol-9-ylmethyl)-4-methylphenyl]-5-methylbenzimidazolo[1,2-a]benzimidazole has a molecular weight of 490.61 g/mol, XLogP of 8.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(carbazol-9-ylmethyl)-4-methylphenyl]-5-methylbenzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 138571550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).