(4-chlorophenyl)-[3-(2H-tetrazol-5-ylmethyl)indol-1-yl]methanone

C17H12ClN5O — CID 27606

IUPAC(4-chlorophenyl)-[3-(2H-tetrazol-5-ylmethyl)indol-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)n1cc(Cc2nn[nH]n2)c2ccccc21
InChIInChI=1S/C17H12ClN5O/c18-13-7-5-11(6-8-13)17(24)23-10-12(9-16-19-21-22-20-16)14-3-1-2-4-15(14)23/h1-8,10H,9H2,(H,19,20,21,22)
InChIKeyZDHHGGFQZRPUSN-UHFFFAOYSA-N
MW337.77 g/mol
LogP3.09
Rot. Bonds3

About (4-chlorophenyl)-[3-(2H-tetrazol-5-ylmethyl)indol-1-yl]methanone

(4-chlorophenyl)-[3-(2H-tetrazol-5-ylmethyl)indol-1-yl]methanone (PubChem CID 27606) has the molecular formula C17H12ClN5O and a molecular weight of 337.77 g/mol. Its IUPAC name is (4-chlorophenyl)-[3-(2H-tetrazol-5-ylmethyl)indol-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[3-(2H-tetrazol-5-ylmethyl)indol-1-yl]methanone
PubChem CID27606
Molecular FormulaC17H12ClN5O
Molecular Weight337.77 g/mol
Exact Mass337.07
IUPAC Name(4-chlorophenyl)-[3-(2H-tetrazol-5-ylmethyl)indol-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)n1cc(Cc2nn[nH]n2)c2ccccc21
InChIInChI=1S/C17H12ClN5O/c18-13-7-5-11(6-8-13)17(24)23-10-12(9-16-19-21-22-20-16)14-3-1-2-4-15(14)23/h1-8,10H,9H2,(H,19,20,21,22)
InChIKeyZDHHGGFQZRPUSN-UHFFFAOYSA-N
XLogP3.09
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[3-(2H-tetrazol-5-ylmethyl)indol-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[3-(2H-tetrazol-5-ylmethyl)indol-1-yl]methanone (CID 27606) is (4-chlorophenyl)-[3-(2H-tetrazol-5-ylmethyl)indol-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[3-(2H-tetrazol-5-ylmethyl)indol-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[3-(2H-tetrazol-5-ylmethyl)indol-1-yl]methanone is O=C(c1ccc(Cl)cc1)n1cc(Cc2nn[nH]n2)c2ccccc21.
What is the InChIKey of (4-chlorophenyl)-[3-(2H-tetrazol-5-ylmethyl)indol-1-yl]methanone?
The InChIKey is ZDHHGGFQZRPUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O/c18-13-7-5-11(6-8-13)17(24)23-10-12(9-16-19-21-22-20-16)14-3-1-2-4-15(14)23/h1-8,10H,9H2,(H,19,20,21,22).
What are the key properties of (4-chlorophenyl)-[3-(2H-tetrazol-5-ylmethyl)indol-1-yl]methanone?
(4-chlorophenyl)-[3-(2H-tetrazol-5-ylmethyl)indol-1-yl]methanone has a molecular weight of 337.77 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[3-(2H-tetrazol-5-ylmethyl)indol-1-yl]methanone is sourced from PubChem (CID 27606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).