4-(3-methylimidazol-4-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide

C22H22N4O — CID 155128760

IUPAC4-(3-methylimidazol-4-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)c1ccc(-c2cncn2C)cc1
InChIInChI=1S/C22H22N4O/c1-15-18(19-5-3-4-6-20(19)25-15)11-12-24-22(27)17-9-7-16(8-10-17)21-13-23-14-26(21)2/h3-10,13-14,25H,11-12H2,1-2H3,(H,24,27)
InChIKeyUFPBVJYJYXTLOO-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.85
Rot. Bonds5

About 4-(3-methylimidazol-4-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide

4-(3-methylimidazol-4-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide (PubChem CID 155128760) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 4-(3-methylimidazol-4-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(3-methylimidazol-4-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
PubChem CID155128760
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name4-(3-methylimidazol-4-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)c1ccc(-c2cncn2C)cc1
InChIInChI=1S/C22H22N4O/c1-15-18(19-5-3-4-6-20(19)25-15)11-12-24-22(27)17-9-7-16(8-10-17)21-13-23-14-26(21)2/h3-10,13-14,25H,11-12H2,1-2H3,(H,24,27)
InChIKeyUFPBVJYJYXTLOO-UHFFFAOYSA-N
XLogP3.85
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-(1H-imidazol-5-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 155128767
4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776348
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 16763802
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
6-(3-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 155540476
3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 110789064
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide
CID 71492148
methyl 4-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyridine-2-carboxylate
CID 71975738
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
CID 86285570
5-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide
CID 112529696
2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776329
7-acetyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112529746

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylimidazol-4-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 4-(3-methylimidazol-4-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide (CID 155128760) is 4-(3-methylimidazol-4-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-(3-methylimidazol-4-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 4-(3-methylimidazol-4-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide is Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(-c2cncn2C)cc1.
What is the InChIKey of 4-(3-methylimidazol-4-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide?
The InChIKey is UFPBVJYJYXTLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-15-18(19-5-3-4-6-20(19)25-15)11-12-24-22(27)17-9-7-16(8-10-17)21-13-23-14-26(21)2/h3-10,13-14,25H,11-12H2,1-2H3,(H,24,27).
What are the key properties of 4-(3-methylimidazol-4-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide?
4-(3-methylimidazol-4-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide has a molecular weight of 358.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylimidazol-4-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 155128760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).