4-(1H-imidazol-5-yl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide

C21H20N4O — CID 155134986

IUPAC4-(1H-imidazol-5-yl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C21H20N4O/c1-15-12-18-4-2-3-5-20(18)25(15)11-10-23-21(26)17-8-6-16(7-9-17)19-13-22-14-24-19/h2-9,12-14H,10-11H2,1H3,(H,22,24)(H,23,26)
InChIKeyBTAWNAMBKSVPRY-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.77
Rot. Bonds5

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

4-(1H-imidazol-5-yl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide (PubChem CID 155134986) 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-methylindol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(1H-imidazol-5-yl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide
PubChem CID155134986
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name4-(1H-imidazol-5-yl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C21H20N4O/c1-15-12-18-4-2-3-5-20(18)25(15)11-10-23-21(26)17-8-6-16(7-9-17)19-13-22-14-24-19/h2-9,12-14H,10-11H2,1H3,(H,22,24)(H,23,26)
InChIKeyBTAWNAMBKSVPRY-UHFFFAOYSA-N
XLogP3.77
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-yl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The IUPAC name of 4-(1H-imidazol-5-yl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide (CID 155134986) is 4-(1H-imidazol-5-yl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-(1H-imidazol-5-yl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The canonical SMILES for 4-(1H-imidazol-5-yl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide is Cc1cc2ccccc2n1CCNC(=O)c1ccc(-c2cnc[nH]2)cc1.
What is the InChIKey of 4-(1H-imidazol-5-yl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The InChIKey is BTAWNAMBKSVPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-15-12-18-4-2-3-5-20(18)25(15)11-10-23-21(26)17-8-6-16(7-9-17)19-13-22-14-24-19/h2-9,12-14H,10-11H2,1H3,(H,22,24)(H,23,26).
What are the key properties of 4-(1H-imidazol-5-yl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
4-(1H-imidazol-5-yl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide has a molecular weight of 344.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-yl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide is sourced from PubChem (CID 155134986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).