2-[3-methyl-5-(2-methyl-3-prop-1-enylindol-1-yl)phenyl]-1H-benzimidazole

C26H23N3 — CID 90731634

IUPAC2-[3-methyl-5-(2-methyl-3-prop-1-enylindol-1-yl)phenyl]-1H-benzimidazole
SMILESCC=Cc1c(C)n(-c2cc(C)cc(-c3nc4ccccc4[nH]3)c2)c2ccccc12
InChIInChI=1S/C26H23N3/c1-4-9-21-18(3)29(25-13-8-5-10-22(21)25)20-15-17(2)14-19(16-20)26-27-23-11-6-7-12-24(23)28-26/h4-16H,1-3H3,(H,27,28)
InChIKeyGXURJPWMXCGCFG-UHFFFAOYSA-N
MW377.49 g/mol
LogP6.82
Rot. Bonds3

About 2-[3-methyl-5-(2-methyl-3-prop-1-enylindol-1-yl)phenyl]-1H-benzimidazole

2-[3-methyl-5-(2-methyl-3-prop-1-enylindol-1-yl)phenyl]-1H-benzimidazole (PubChem CID 90731634) has the molecular formula C26H23N3 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[3-methyl-5-(2-methyl-3-prop-1-enylindol-1-yl)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-methyl-5-(2-methyl-3-prop-1-enylindol-1-yl)phenyl]-1H-benzimidazole
PubChem CID90731634
Molecular FormulaC26H23N3
Molecular Weight377.49 g/mol
Exact Mass377.19
IUPAC Name2-[3-methyl-5-(2-methyl-3-prop-1-enylindol-1-yl)phenyl]-1H-benzimidazole
SMILESCC=Cc1c(C)n(-c2cc(C)cc(-c3nc4ccccc4[nH]3)c2)c2ccccc12
InChIInChI=1S/C26H23N3/c1-4-9-21-18(3)29(25-13-8-5-10-22(21)25)20-15-17(2)14-19(16-20)26-27-23-11-6-7-12-24(23)28-26/h4-16H,1-3H3,(H,27,28)
InChIKeyGXURJPWMXCGCFG-UHFFFAOYSA-N
XLogP6.82
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5-(2-methyl-3-prop-1-enylindol-1-yl)phenyl]-1H-benzimidazole?
The IUPAC name of 2-[3-methyl-5-(2-methyl-3-prop-1-enylindol-1-yl)phenyl]-1H-benzimidazole (CID 90731634) is 2-[3-methyl-5-(2-methyl-3-prop-1-enylindol-1-yl)phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[3-methyl-5-(2-methyl-3-prop-1-enylindol-1-yl)phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[3-methyl-5-(2-methyl-3-prop-1-enylindol-1-yl)phenyl]-1H-benzimidazole is CC=Cc1c(C)n(-c2cc(C)cc(-c3nc4ccccc4[nH]3)c2)c2ccccc12.
What is the InChIKey of 2-[3-methyl-5-(2-methyl-3-prop-1-enylindol-1-yl)phenyl]-1H-benzimidazole?
The InChIKey is GXURJPWMXCGCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3/c1-4-9-21-18(3)29(25-13-8-5-10-22(21)25)20-15-17(2)14-19(16-20)26-27-23-11-6-7-12-24(23)28-26/h4-16H,1-3H3,(H,27,28).
What are the key properties of 2-[3-methyl-5-(2-methyl-3-prop-1-enylindol-1-yl)phenyl]-1H-benzimidazole?
2-[3-methyl-5-(2-methyl-3-prop-1-enylindol-1-yl)phenyl]-1H-benzimidazole has a molecular weight of 377.49 g/mol, XLogP of 6.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-5-(2-methyl-3-prop-1-enylindol-1-yl)phenyl]-1H-benzimidazole is sourced from PubChem (CID 90731634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).