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

C19H19N3 — CID 141393452

IUPAC2-[(5-ethyl-7-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole
SMILESCCc1cc(C)c2[nH]ccc2c1Cc1nc2ccccc2[nH]1
InChIInChI=1S/C19H19N3/c1-3-13-10-12(2)19-14(8-9-20-19)15(13)11-18-21-16-6-4-5-7-17(16)22-18/h4-10,20H,3,11H2,1-2H3,(H,21,22)
InChIKeyWSBBHBOPQKMVAN-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.51
Rot. Bonds3

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

2-[(5-ethyl-7-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole (PubChem CID 141393452) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[(5-ethyl-7-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(5-ethyl-7-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole
PubChem CID141393452
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC Name2-[(5-ethyl-7-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole
SMILESCCc1cc(C)c2[nH]ccc2c1Cc1nc2ccccc2[nH]1
InChIInChI=1S/C19H19N3/c1-3-13-10-12(2)19-14(8-9-20-19)15(13)11-18-21-16-6-4-5-7-17(16)22-18/h4-10,20H,3,11H2,1-2H3,(H,21,22)
InChIKeyWSBBHBOPQKMVAN-UHFFFAOYSA-N
XLogP4.51
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole
CID 141393324
2-[(7-chloro-5-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole
CID 141393384
2-[1-(5-ethyl-7-methyl-1H-indol-4-yl)-1-methoxyethyl]-1H-benzimidazole
CID 141393353
2-[[7-(hydroxymethyl)-5-methyl-1H-indol-4-yl]methyl]-3H-benzimidazole-5-carbonitrile
CID 86701685
2-[(2,5-dimethylphenyl)methyl]-1H-benzimidazole
CID 62537868
bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079
2-(1H-benzimidazol-2-ylmethyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106478147
2-[(7-bromo-5-methyl-1H-indol-4-yl)methyl]-3H-benzimidazole-5-carbonitrile
CID 86701681
2-[(4-methylphenyl)methyl]-1H-benzimidazole
CID 772158
2-[(2,6-dimethoxyphenyl)methyl]-1H-benzimidazole
CID 139695649
2-[(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)methyl]-1H-benzimidazole
CID 63637400
2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1H-benzimidazole
CID 102533915

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-7-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole?
The IUPAC name of 2-[(5-ethyl-7-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole (CID 141393452) is 2-[(5-ethyl-7-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(5-ethyl-7-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole?
The canonical SMILES for 2-[(5-ethyl-7-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole is CCc1cc(C)c2[nH]ccc2c1Cc1nc2ccccc2[nH]1.
What is the InChIKey of 2-[(5-ethyl-7-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole?
The InChIKey is WSBBHBOPQKMVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3/c1-3-13-10-12(2)19-14(8-9-20-19)15(13)11-18-21-16-6-4-5-7-17(16)22-18/h4-10,20H,3,11H2,1-2H3,(H,21,22).
What are the key properties of 2-[(5-ethyl-7-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole?
2-[(5-ethyl-7-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole has a molecular weight of 289.38 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-7-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole is sourced from PubChem (CID 141393452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).