6-(1H-indol-4-yl)-N-(2-methoxyethyl)-3-methylbenzimidazole-4-carboxamide

C20H20N4O2 — CID 134811031

IUPAC6-(1H-indol-4-yl)-N-(2-methoxyethyl)-3-methylbenzimidazole-4-carboxamide
SMILESCOCCNC(=O)c1cc(-c2cccc3[nH]ccc23)cc2ncn(C)c12
InChIInChI=1S/C20H20N4O2/c1-24-12-23-18-11-13(14-4-3-5-17-15(14)6-7-21-17)10-16(19(18)24)20(25)22-8-9-26-2/h3-7,10-12,21H,8-9H2,1-2H3,(H,22,25)
InChIKeySDOUEVBDRHLGBC-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.10
Rot. Bonds5

About 6-(1H-indol-4-yl)-N-(2-methoxyethyl)-3-methylbenzimidazole-4-carboxamide

6-(1H-indol-4-yl)-N-(2-methoxyethyl)-3-methylbenzimidazole-4-carboxamide (PubChem CID 134811031) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 6-(1H-indol-4-yl)-N-(2-methoxyethyl)-3-methylbenzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-(1H-indol-4-yl)-N-(2-methoxyethyl)-3-methylbenzimidazole-4-carboxamide
PubChem CID134811031
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name6-(1H-indol-4-yl)-N-(2-methoxyethyl)-3-methylbenzimidazole-4-carboxamide
SMILESCOCCNC(=O)c1cc(-c2cccc3[nH]ccc23)cc2ncn(C)c12
InChIInChI=1S/C20H20N4O2/c1-24-12-23-18-11-13(14-4-3-5-17-15(14)6-7-21-17)10-16(19(18)24)20(25)22-8-9-26-2/h3-7,10-12,21H,8-9H2,1-2H3,(H,22,25)
InChIKeySDOUEVBDRHLGBC-UHFFFAOYSA-N
XLogP3.10
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-3-methyl-6-(2-phenoxyphenyl)benzimidazole-4-carboxamide
CID 134809089
methyl 4-(1H-indole-4-carbonylamino)butanoate
CID 60864608
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylimidazole-2-carboxamide
CID 44540326
N-[3-fluoro-6-(1H-indol-4-yl)-2H-indazol-4-yl]-3-propan-2-ylpyridine-2-carboxamide
CID 53233088
N-[3-(6-ethoxy-3-pyridinyl)-5-(1H-indol-4-yl)phenyl]acetamide
CID 25115108
N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1H-indole-4-carboxamide
CID 71706749
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-4-carboxamide
CID 63832136
N-(3-propan-2-yloxypropyl)-1H-indole-4-carboxamide
CID 60865335
N-(2-methoxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide
CID 141129422
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
2-ethoxy-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-3-carboxamide
CID 44540319
2,6-difluoro-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide
CID 44540134

Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-4-yl)-N-(2-methoxyethyl)-3-methylbenzimidazole-4-carboxamide?
The IUPAC name of 6-(1H-indol-4-yl)-N-(2-methoxyethyl)-3-methylbenzimidazole-4-carboxamide (CID 134811031) is 6-(1H-indol-4-yl)-N-(2-methoxyethyl)-3-methylbenzimidazole-4-carboxamide.
What is the SMILES notation for 6-(1H-indol-4-yl)-N-(2-methoxyethyl)-3-methylbenzimidazole-4-carboxamide?
The canonical SMILES for 6-(1H-indol-4-yl)-N-(2-methoxyethyl)-3-methylbenzimidazole-4-carboxamide is COCCNC(=O)c1cc(-c2cccc3[nH]ccc23)cc2ncn(C)c12.
What is the InChIKey of 6-(1H-indol-4-yl)-N-(2-methoxyethyl)-3-methylbenzimidazole-4-carboxamide?
The InChIKey is SDOUEVBDRHLGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-24-12-23-18-11-13(14-4-3-5-17-15(14)6-7-21-17)10-16(19(18)24)20(25)22-8-9-26-2/h3-7,10-12,21H,8-9H2,1-2H3,(H,22,25).
What are the key properties of 6-(1H-indol-4-yl)-N-(2-methoxyethyl)-3-methylbenzimidazole-4-carboxamide?
6-(1H-indol-4-yl)-N-(2-methoxyethyl)-3-methylbenzimidazole-4-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-4-yl)-N-(2-methoxyethyl)-3-methylbenzimidazole-4-carboxamide is sourced from PubChem (CID 134811031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).