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

C18H16N6O — CID 2116123

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-(tetrazol-1-yl)benzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C18H16N6O/c25-18(13-5-7-15(8-6-13)24-12-21-22-23-24)19-10-9-14-11-20-17-4-2-1-3-16(14)17/h1-8,11-12,20H,9-10H2,(H,19,25)
InChIKeyKGIWXYBGMLGJER-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.12
Rot. Bonds5

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

N-[2-(1H-indol-3-yl)ethyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 2116123) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-(tetrazol-1-yl)benzamide
PubChem CID2116123
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-(tetrazol-1-yl)benzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C18H16N6O/c25-18(13-5-7-15(8-6-13)24-12-21-22-23-24)19-10-9-14-11-20-17-4-2-1-3-16(14)17/h1-8,11-12,20H,9-10H2,(H,19,25)
InChIKeyKGIWXYBGMLGJER-UHFFFAOYSA-N
XLogP2.12
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(1H-indol-3-yl)ethyl]-4-(tetrazol-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-(tetrazol-1-yl)benzamide (CID 2116123) is N-[2-(1H-indol-3-yl)ethyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-(tetrazol-1-yl)benzamide is O=C(NCCc1c[nH]c2ccccc12)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is KGIWXYBGMLGJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c25-18(13-5-7-15(8-6-13)24-12-21-22-23-24)19-10-9-14-11-20-17-4-2-1-3-16(14)17/h1-8,11-12,20H,9-10H2,(H,19,25).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-(tetrazol-1-yl)benzamide?
N-[2-(1H-indol-3-yl)ethyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 332.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 2116123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).