2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-1H-benzimidazole

C18H17N3 — CID 141393495

IUPAC2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-1H-benzimidazole
SMILESCc1cc(C)c2[nH]ccc2c1Cc1nc2ccccc2[nH]1
InChIInChI=1S/C18H17N3/c1-11-9-12(2)18-13(7-8-19-18)14(11)10-17-20-15-5-3-4-6-16(15)21-17/h3-9,19H,10H2,1-2H3,(H,20,21)
InChIKeyXZUVXLDXHDFANZ-UHFFFAOYSA-N
MW275.36 g/mol
LogP4.25
Rot. Bonds2

About 2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-1H-benzimidazole

2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-1H-benzimidazole (PubChem CID 141393495) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-1H-benzimidazole
PubChem CID141393495
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-1H-benzimidazole
SMILESCc1cc(C)c2[nH]ccc2c1Cc1nc2ccccc2[nH]1
InChIInChI=1S/C18H17N3/c1-11-9-12(2)18-13(7-8-19-18)14(11)10-17-20-15-5-3-4-6-16(15)21-17/h3-9,19H,10H2,1-2H3,(H,20,21)
InChIKeyXZUVXLDXHDFANZ-UHFFFAOYSA-N
XLogP4.25
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-1H-benzimidazole?
The IUPAC name of 2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-1H-benzimidazole (CID 141393495) is 2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-1H-benzimidazole?
The canonical SMILES for 2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-1H-benzimidazole is Cc1cc(C)c2[nH]ccc2c1Cc1nc2ccccc2[nH]1.
What is the InChIKey of 2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-1H-benzimidazole?
The InChIKey is XZUVXLDXHDFANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-11-9-12(2)18-13(7-8-19-18)14(11)10-17-20-15-5-3-4-6-16(15)21-17/h3-9,19H,10H2,1-2H3,(H,20,21).
What are the key properties of 2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-1H-benzimidazole?
2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-1H-benzimidazole has a molecular weight of 275.36 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-1H-benzimidazole is sourced from PubChem (CID 141393495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).