N-(1H-indol-2-ylmethyl)-3-methyl-4-(tetrazol-1-yl)benzamide

C18H16N6O — CID 51099931

IUPACN-(1H-indol-2-ylmethyl)-3-methyl-4-(tetrazol-1-yl)benzamide
SMILESCc1cc(C(=O)NCc2cc3ccccc3[nH]2)ccc1-n1cnnn1
InChIInChI=1S/C18H16N6O/c1-12-8-14(6-7-17(12)24-11-20-22-23-24)18(25)19-10-15-9-13-4-2-3-5-16(13)21-15/h2-9,11,21H,10H2,1H3,(H,19,25)
InChIKeyKEGHLDCDZKYHKH-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.38
Rot. Bonds4

About N-(1H-indol-2-ylmethyl)-3-methyl-4-(tetrazol-1-yl)benzamide

N-(1H-indol-2-ylmethyl)-3-methyl-4-(tetrazol-1-yl)benzamide (PubChem CID 51099931) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is N-(1H-indol-2-ylmethyl)-3-methyl-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1H-indol-2-ylmethyl)-3-methyl-4-(tetrazol-1-yl)benzamide
PubChem CID51099931
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC NameN-(1H-indol-2-ylmethyl)-3-methyl-4-(tetrazol-1-yl)benzamide
SMILESCc1cc(C(=O)NCc2cc3ccccc3[nH]2)ccc1-n1cnnn1
InChIInChI=1S/C18H16N6O/c1-12-8-14(6-7-17(12)24-11-20-22-23-24)18(25)19-10-15-9-13-4-2-3-5-16(13)21-15/h2-9,11,21H,10H2,1H3,(H,19,25)
InChIKeyKEGHLDCDZKYHKH-UHFFFAOYSA-N
XLogP2.38
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-2-ylmethyl)-3-methyl-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(1H-indol-2-ylmethyl)-3-methyl-4-(tetrazol-1-yl)benzamide (CID 51099931) is N-(1H-indol-2-ylmethyl)-3-methyl-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(1H-indol-2-ylmethyl)-3-methyl-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(1H-indol-2-ylmethyl)-3-methyl-4-(tetrazol-1-yl)benzamide is Cc1cc(C(=O)NCc2cc3ccccc3[nH]2)ccc1-n1cnnn1.
What is the InChIKey of N-(1H-indol-2-ylmethyl)-3-methyl-4-(tetrazol-1-yl)benzamide?
The InChIKey is KEGHLDCDZKYHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-12-8-14(6-7-17(12)24-11-20-22-23-24)18(25)19-10-15-9-13-4-2-3-5-16(13)21-15/h2-9,11,21H,10H2,1H3,(H,19,25).
What are the key properties of N-(1H-indol-2-ylmethyl)-3-methyl-4-(tetrazol-1-yl)benzamide?
N-(1H-indol-2-ylmethyl)-3-methyl-4-(tetrazol-1-yl)benzamide has a molecular weight of 332.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-2-ylmethyl)-3-methyl-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 51099931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).