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

C18H17N3O — CID 141393324

IUPAC2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole
SMILESCOc1cc(C)c2[nH]ccc2c1Cc1nc2ccccc2[nH]1
InChIInChI=1S/C18H17N3O/c1-11-9-16(22-2)13(12-7-8-19-18(11)12)10-17-20-14-5-3-4-6-15(14)21-17/h3-9,19H,10H2,1-2H3,(H,20,21)
InChIKeyXSWYHOBUUPTEJM-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.95
Rot. Bonds3

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

2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole (PubChem CID 141393324) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole
PubChem CID141393324
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole
SMILESCOc1cc(C)c2[nH]ccc2c1Cc1nc2ccccc2[nH]1
InChIInChI=1S/C18H17N3O/c1-11-9-16(22-2)13(12-7-8-19-18(11)12)10-17-20-14-5-3-4-6-15(14)21-17/h3-9,19H,10H2,1-2H3,(H,20,21)
InChIKeyXSWYHOBUUPTEJM-UHFFFAOYSA-N
XLogP3.95
TPSA53.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(5-methoxy-7-methyl-1H-indol-4-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

Related Compounds

2-[(5-ethyl-7-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole
CID 141393452
2-[(7-chloro-5-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole
CID 141393384
2-[(2,6-dimethoxyphenyl)methyl]-1H-benzimidazole
CID 139695649
2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-indole-5-carbonitrile
CID 141393467
2-[1-(5-ethyl-7-methyl-1H-indol-4-yl)-1-methoxyethyl]-1H-benzimidazole
CID 141393353
2-benzyl-5,6-dimethoxy-1H-benzimidazole
CID 39158335
2-[(2,5-dimethylphenyl)methyl]-1H-benzimidazole
CID 62537868
2-[(7-bromo-5-methyl-1H-indol-4-yl)methyl]-3H-benzimidazole-5-carbonitrile
CID 86701681
2-[(4-methylphenyl)methyl]-1H-benzimidazole
CID 772158
N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
CID 51143940
2-[(4,5-dimethoxy-2-nitrophenyl)methyl]-1H-benzimidazole
CID 785635
2-[[7-(hydroxymethyl)-5-methyl-1H-indol-4-yl]methyl]-3H-benzimidazole-5-carbonitrile
CID 86701685

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole?
The IUPAC name of 2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole (CID 141393324) is 2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole?
The canonical SMILES for 2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole is COc1cc(C)c2[nH]ccc2c1Cc1nc2ccccc2[nH]1.
What is the InChIKey of 2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole?
The InChIKey is XSWYHOBUUPTEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-11-9-16(22-2)13(12-7-8-19-18(11)12)10-17-20-14-5-3-4-6-15(14)21-17/h3-9,19H,10H2,1-2H3,(H,20,21).
What are the key properties of 2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole?
2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole has a molecular weight of 291.35 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole is sourced from PubChem (CID 141393324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).