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

C19H18N6O — CID 90680553

IUPACN-[2-(2-methylindol-1-yl)ethyl]-4-(tetrazol-1-yl)benzamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C19H18N6O/c1-14-12-16-4-2-3-5-18(16)24(14)11-10-20-19(26)15-6-8-17(9-7-15)25-13-21-22-23-25/h2-9,12-13H,10-11H2,1H3,(H,20,26)
InChIKeyROXBUUNNJYMBLE-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.36
Rot. Bonds5

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

N-[2-(2-methylindol-1-yl)ethyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 90680553) 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-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2-methylindol-1-yl)ethyl]-4-(tetrazol-1-yl)benzamide
PubChem CID90680553
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC NameN-[2-(2-methylindol-1-yl)ethyl]-4-(tetrazol-1-yl)benzamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C19H18N6O/c1-14-12-16-4-2-3-5-18(16)24(14)11-10-20-19(26)15-6-8-17(9-7-15)25-13-21-22-23-25/h2-9,12-13H,10-11H2,1H3,(H,20,26)
InChIKeyROXBUUNNJYMBLE-UHFFFAOYSA-N
XLogP2.36
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(2-fluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1H-indole-2-carboxamide
CID 13822922
N-[6-(2-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1H-indole-2-carboxamide
CID 13822923
(4-methylphenyl)-[3-[(E)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]methanone
CID 162642933
1h-Indole-2-carboxamide,n-[4-(1h-imidazol-1-yl)butyl]-
CID 20229525
(E)-N-(6-((1H-1,2,4-triazol-1-yl)methyl)-1-(cis-4-(isopropylcarbamoyl)cyclohexyl)-1H-benzo[d]imidazol-2(3H)-ylidene)-4-fluorobenzamide
CID 56654475
4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide
CID 56668799
4-(dimethylamino)-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 71144290
4-acetamido-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 71144931
4-amino-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 71499437
4-(diethylamino)-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 90680535
N-[2-(2-methylindol-1-yl)ethyl]-4-(2H-tetrazol-5-yl)benzamide
CID 90680555
1,3-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]-2-oxobenzimidazole-5-carboxamide
CID 90680556

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]-4-(tetrazol-1-yl)benzamide (CID 90680553) is N-[2-(2-methylindol-1-yl)ethyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(2-methylindol-1-yl)ethyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(2-methylindol-1-yl)ethyl]-4-(tetrazol-1-yl)benzamide is Cc1cc2ccccc2n1CCNC(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[2-(2-methylindol-1-yl)ethyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is ROXBUUNNJYMBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-14-12-16-4-2-3-5-18(16)24(14)11-10-20-19(26)15-6-8-17(9-7-15)25-13-21-22-23-25/h2-9,12-13H,10-11H2,1H3,(H,20,26).
What are the key properties of N-[2-(2-methylindol-1-yl)ethyl]-4-(tetrazol-1-yl)benzamide?
N-[2-(2-methylindol-1-yl)ethyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 346.39 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylindol-1-yl)ethyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 90680553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).