6-[(1,5-dimethylindol-2-yl)methyl]-1H-benzimidazole

C18H17N3 — CID 123329003

IUPAC6-[(1,5-dimethylindol-2-yl)methyl]-1H-benzimidazole
SMILESCc1ccc2c(c1)cc(Cc1ccc3nc[nH]c3c1)n2C
InChIInChI=1S/C18H17N3/c1-12-3-6-18-14(7-12)10-15(21(18)2)8-13-4-5-16-17(9-13)20-11-19-16/h3-7,9-11H,8H2,1-2H3,(H,19,20)
InChIKeyXSYDPXPEKOJXIU-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.95
Rot. Bonds2

About 6-[(1,5-dimethylindol-2-yl)methyl]-1H-benzimidazole

6-[(1,5-dimethylindol-2-yl)methyl]-1H-benzimidazole (PubChem CID 123329003) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 6-[(1,5-dimethylindol-2-yl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-[(1,5-dimethylindol-2-yl)methyl]-1H-benzimidazole
PubChem CID123329003
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name6-[(1,5-dimethylindol-2-yl)methyl]-1H-benzimidazole
SMILESCc1ccc2c(c1)cc(Cc1ccc3nc[nH]c3c1)n2C
InChIInChI=1S/C18H17N3/c1-12-3-6-18-14(7-12)10-15(21(18)2)8-13-4-5-16-17(9-13)20-11-19-16/h3-7,9-11H,8H2,1-2H3,(H,19,20)
InChIKeyXSYDPXPEKOJXIU-UHFFFAOYSA-N
XLogP3.95
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-[(1,5-dimethylindol-2-yl)methyl]-1H-benzimidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(1,5-dimethylindol-2-yl)methyl]-1H-benzimidazole?
The IUPAC name of 6-[(1,5-dimethylindol-2-yl)methyl]-1H-benzimidazole (CID 123329003) is 6-[(1,5-dimethylindol-2-yl)methyl]-1H-benzimidazole.
What is the SMILES notation for 6-[(1,5-dimethylindol-2-yl)methyl]-1H-benzimidazole?
The canonical SMILES for 6-[(1,5-dimethylindol-2-yl)methyl]-1H-benzimidazole is Cc1ccc2c(c1)cc(Cc1ccc3nc[nH]c3c1)n2C.
What is the InChIKey of 6-[(1,5-dimethylindol-2-yl)methyl]-1H-benzimidazole?
The InChIKey is XSYDPXPEKOJXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-12-3-6-18-14(7-12)10-15(21(18)2)8-13-4-5-16-17(9-13)20-11-19-16/h3-7,9-11H,8H2,1-2H3,(H,19,20).
What are the key properties of 6-[(1,5-dimethylindol-2-yl)methyl]-1H-benzimidazole?
6-[(1,5-dimethylindol-2-yl)methyl]-1H-benzimidazole has a molecular weight of 275.36 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1,5-dimethylindol-2-yl)methyl]-1H-benzimidazole is sourced from PubChem (CID 123329003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).