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

C19H18N6O — CID 90680555

IUPACN-[2-(2-methylindol-1-yl)ethyl]-4-(2H-tetrazol-5-yl)benzamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C19H18N6O/c1-13-12-16-4-2-3-5-17(16)25(13)11-10-20-19(26)15-8-6-14(7-9-15)18-21-23-24-22-18/h2-9,12H,10-11H2,1H3,(H,20,26)(H,21,22,23,24)
InChIKeyNSBLUZNHTPDUIL-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.56
Rot. Bonds5

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

N-[2-(2-methylindol-1-yl)ethyl]-4-(2H-tetrazol-5-yl)benzamide (PubChem CID 90680555) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[2-(2-methylindol-1-yl)ethyl]-4-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2-methylindol-1-yl)ethyl]-4-(2H-tetrazol-5-yl)benzamide
PubChem CID90680555
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC NameN-[2-(2-methylindol-1-yl)ethyl]-4-(2H-tetrazol-5-yl)benzamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C19H18N6O/c1-13-12-16-4-2-3-5-17(16)25(13)11-10-20-19(26)15-8-6-14(7-9-15)18-21-23-24-22-18/h2-9,12H,10-11H2,1H3,(H,20,26)(H,21,22,23,24)
InChIKeyNSBLUZNHTPDUIL-UHFFFAOYSA-N
XLogP2.56
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]-4-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]-4-(2H-tetrazol-5-yl)benzamide (CID 90680555) is N-[2-(2-methylindol-1-yl)ethyl]-4-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-[2-(2-methylindol-1-yl)ethyl]-4-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-[2-(2-methylindol-1-yl)ethyl]-4-(2H-tetrazol-5-yl)benzamide is Cc1cc2ccccc2n1CCNC(=O)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of N-[2-(2-methylindol-1-yl)ethyl]-4-(2H-tetrazol-5-yl)benzamide?
The InChIKey is NSBLUZNHTPDUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-13-12-16-4-2-3-5-17(16)25(13)11-10-20-19(26)15-8-6-14(7-9-15)18-21-23-24-22-18/h2-9,12H,10-11H2,1H3,(H,20,26)(H,21,22,23,24).
What are the key properties of N-[2-(2-methylindol-1-yl)ethyl]-4-(2H-tetrazol-5-yl)benzamide?
N-[2-(2-methylindol-1-yl)ethyl]-4-(2H-tetrazol-5-yl)benzamide has a molecular weight of 346.39 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylindol-1-yl)ethyl]-4-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 90680555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).