4-(1H-imidazol-5-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide

C21H20N4O — CID 155128767

IUPAC4-(1H-imidazol-5-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)c1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C21H20N4O/c1-14-17(18-4-2-3-5-19(18)25-14)10-11-23-21(26)16-8-6-15(7-9-16)20-12-22-13-24-20/h2-9,12-13,25H,10-11H2,1H3,(H,22,24)(H,23,26)
InChIKeyXMWMPTMQNJXLNV-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.84
Rot. Bonds5

About 4-(1H-imidazol-5-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide

4-(1H-imidazol-5-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide (PubChem CID 155128767) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-(1H-imidazol-5-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(1H-imidazol-5-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
PubChem CID155128767
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name4-(1H-imidazol-5-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)c1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C21H20N4O/c1-14-17(18-4-2-3-5-19(18)25-14)10-11-23-21(26)16-8-6-15(7-9-16)20-12-22-13-24-20/h2-9,12-13,25H,10-11H2,1H3,(H,22,24)(H,23,26)
InChIKeyXMWMPTMQNJXLNV-UHFFFAOYSA-N
XLogP3.84
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methylimidazol-4-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 155128760
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
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
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 4-(1H-imidazol-5-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide (CID 155128767) is 4-(1H-imidazol-5-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-(1H-imidazol-5-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 4-(1H-imidazol-5-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide is Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(-c2cnc[nH]2)cc1.
What is the InChIKey of 4-(1H-imidazol-5-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide?
The InChIKey is XMWMPTMQNJXLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-14-17(18-4-2-3-5-19(18)25-14)10-11-23-21(26)16-8-6-15(7-9-16)20-12-22-13-24-20/h2-9,12-13,25H,10-11H2,1H3,(H,22,24)(H,23,26).
What are the key properties of 4-(1H-imidazol-5-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide?
4-(1H-imidazol-5-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide has a molecular weight of 344.42 g/mol, XLogP of 3.84, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 155128767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).