3,3,4,4-tetramethyl-1-(4-methylbenzimidazol-1-yl)isoquinoline

C21H23N3 — CID 134358940

IUPAC3,3,4,4-tetramethyl-1-(4-methylbenzimidazol-1-yl)isoquinoline
SMILESCc1cccc2c1ncn2C1=NC(C)(C)C(C)(C)c2ccccc21
InChIInChI=1S/C21H23N3/c1-14-9-8-12-17-18(14)22-13-24(17)19-15-10-6-7-11-16(15)20(2,3)21(4,5)23-19/h6-13H,1-5H3
InChIKeyNWSPKTDCMYQCNH-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.71
Rot. Bonds

About 3,3,4,4-tetramethyl-1-(4-methylbenzimidazol-1-yl)isoquinoline

3,3,4,4-tetramethyl-1-(4-methylbenzimidazol-1-yl)isoquinoline (PubChem CID 134358940) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 3,3,4,4-tetramethyl-1-(4-methylbenzimidazol-1-yl)isoquinoline.

Molecular Properties

Compound Name3,3,4,4-tetramethyl-1-(4-methylbenzimidazol-1-yl)isoquinoline
PubChem CID134358940
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name3,3,4,4-tetramethyl-1-(4-methylbenzimidazol-1-yl)isoquinoline
SMILESCc1cccc2c1ncn2C1=NC(C)(C)C(C)(C)c2ccccc21
InChIInChI=1S/C21H23N3/c1-14-9-8-12-17-18(14)22-13-24(17)19-15-10-6-7-11-16(15)20(2,3)21(4,5)23-19/h6-13H,1-5H3
InChIKeyNWSPKTDCMYQCNH-UHFFFAOYSA-N
XLogP4.71
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,3,4,4-tetramethyl-1-(4-methylbenzimidazol-1-yl)isoquinoline 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

1-(4-cyclopropylbenzimidazol-1-yl)-5-fluoro-3,3,4,4-tetramethylisoquinoline
CID 134358932
3,3,4,4-tetramethyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)isoquinoline
CID 135306256
3-methyl-2-(4-methylbenzimidazol-1-yl)phenol
CID 143995966
1-chloro-4-methylbenzimidazole
CID 68637530
3,3-dimethyl-1-(4-methylbenzimidazol-1-yl)-2H-isoquinoline
CID 138634443
4-(4,5-dimethylbenzimidazol-1-yl)-7,7-difluoro-6,6-dimethylthieno[3,2-c]pyridine
CID 142468781
4,5-difluoro-3,3-dimethyl-1-(4-methylbenzimidazol-1-yl)-2H-isoquinoline
CID 155727888
10,10-dimethyl-5-(1-phenylbenzimidazol-4-yl)indeno[1,2-b]indole
CID 121285583
2-(3,3,4,4-tetramethylisoquinolin-1-yl)-5,6,7,8-tetrahydroquinoxaline
CID 135152929
4-(4-methyl-3-pyridinyl)-1-pyrimidin-4-ylbenzimidazole
CID 56953509
2,2,2-trifluoro-1-(4-methylbenzimidazol-1-yl)ethanone
CID 134239560
5-fluoro-3,3,4,4-tetramethyl-1-(8-methylquinolin-3-yl)isoquinoline
CID 23160741

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetramethyl-1-(4-methylbenzimidazol-1-yl)isoquinoline?
The IUPAC name of 3,3,4,4-tetramethyl-1-(4-methylbenzimidazol-1-yl)isoquinoline (CID 134358940) is 3,3,4,4-tetramethyl-1-(4-methylbenzimidazol-1-yl)isoquinoline.
What is the SMILES notation for 3,3,4,4-tetramethyl-1-(4-methylbenzimidazol-1-yl)isoquinoline?
The canonical SMILES for 3,3,4,4-tetramethyl-1-(4-methylbenzimidazol-1-yl)isoquinoline is Cc1cccc2c1ncn2C1=NC(C)(C)C(C)(C)c2ccccc21.
What is the InChIKey of 3,3,4,4-tetramethyl-1-(4-methylbenzimidazol-1-yl)isoquinoline?
The InChIKey is NWSPKTDCMYQCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-14-9-8-12-17-18(14)22-13-24(17)19-15-10-6-7-11-16(15)20(2,3)21(4,5)23-19/h6-13H,1-5H3.
What are the key properties of 3,3,4,4-tetramethyl-1-(4-methylbenzimidazol-1-yl)isoquinoline?
3,3,4,4-tetramethyl-1-(4-methylbenzimidazol-1-yl)isoquinoline has a molecular weight of 317.44 g/mol, XLogP of 4.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetramethyl-1-(4-methylbenzimidazol-1-yl)isoquinoline is sourced from PubChem (CID 134358940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).