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

C21H23N3O — CID 141393353

IUPAC2-[1-(5-ethyl-7-methyl-1H-indol-4-yl)-1-methoxyethyl]-1H-benzimidazole
SMILESCCc1cc(C)c2[nH]ccc2c1C(C)(OC)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H23N3O/c1-5-14-12-13(2)19-15(10-11-22-19)18(14)21(3,25-4)20-23-16-8-6-7-9-17(16)24-20/h6-12,22H,5H2,1-4H3,(H,23,24)
InChIKeyAQIWEYDQZJKZPN-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.82
Rot. Bonds4

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

2-[1-(5-ethyl-7-methyl-1H-indol-4-yl)-1-methoxyethyl]-1H-benzimidazole (PubChem CID 141393353) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-[1-(5-ethyl-7-methyl-1H-indol-4-yl)-1-methoxyethyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-(5-ethyl-7-methyl-1H-indol-4-yl)-1-methoxyethyl]-1H-benzimidazole
PubChem CID141393353
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name2-[1-(5-ethyl-7-methyl-1H-indol-4-yl)-1-methoxyethyl]-1H-benzimidazole
SMILESCCc1cc(C)c2[nH]ccc2c1C(C)(OC)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H23N3O/c1-5-14-12-13(2)19-15(10-11-22-19)18(14)21(3,25-4)20-23-16-8-6-7-9-17(16)24-20/h6-12,22H,5H2,1-4H3,(H,23,24)
InChIKeyAQIWEYDQZJKZPN-UHFFFAOYSA-N
XLogP4.82
TPSA53.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(5,7-dimethyl-1H-indol-4-yl)-1-methoxyethyl]-3H-benzimidazole-5-carbonitrile
CID 86701604
2-[1-methoxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-3H-benzimidazole-5-carbonitrile
CID 71812266
2-[(5-ethyl-7-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole
CID 141393452
2-[1-(6-cyano-1H-benzimidazol-2-yl)-1-(5-ethyl-7-methyl-1H-indol-4-yl)-2,2,2-trifluoroethoxy]acetic acid
CID 86701662
2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole
CID 141393324
2-[1-[amino(dihydroxy)methoxy]-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-3H-benzimidazole-5-carbonitrile
CID 123440574
2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole
CID 66628016
2-[amino-(5-ethyl-7-methyl-1H-indol-4-yl)methyl]-3H-benzimidazole-5-carbonitrile
CID 86701632
2-[(7-chloro-5-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole
CID 141393384
[1-(1H-benzimidazol-2-yl)-1-phosphonoethyl]phosphonic acid;hydrate
CID 87788958
2-[1-(2,2-dihydroxyethylamino)-2,2,2-trifluoro-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-3H-benzimidazole-5-carbonitrile
CID 123549971
2-[2-(2-fluorophenyl)propan-2-yl]-1H-benzimidazole
CID 149030200

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-ethyl-7-methyl-1H-indol-4-yl)-1-methoxyethyl]-1H-benzimidazole?
The IUPAC name of 2-[1-(5-ethyl-7-methyl-1H-indol-4-yl)-1-methoxyethyl]-1H-benzimidazole (CID 141393353) is 2-[1-(5-ethyl-7-methyl-1H-indol-4-yl)-1-methoxyethyl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-(5-ethyl-7-methyl-1H-indol-4-yl)-1-methoxyethyl]-1H-benzimidazole?
The canonical SMILES for 2-[1-(5-ethyl-7-methyl-1H-indol-4-yl)-1-methoxyethyl]-1H-benzimidazole is CCc1cc(C)c2[nH]ccc2c1C(C)(OC)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[1-(5-ethyl-7-methyl-1H-indol-4-yl)-1-methoxyethyl]-1H-benzimidazole?
The InChIKey is AQIWEYDQZJKZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-5-14-12-13(2)19-15(10-11-22-19)18(14)21(3,25-4)20-23-16-8-6-7-9-17(16)24-20/h6-12,22H,5H2,1-4H3,(H,23,24).
What are the key properties of 2-[1-(5-ethyl-7-methyl-1H-indol-4-yl)-1-methoxyethyl]-1H-benzimidazole?
2-[1-(5-ethyl-7-methyl-1H-indol-4-yl)-1-methoxyethyl]-1H-benzimidazole has a molecular weight of 333.44 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-ethyl-7-methyl-1H-indol-4-yl)-1-methoxyethyl]-1H-benzimidazole is sourced from PubChem (CID 141393353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).