4-chloro-3-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline

C19H18ClN5O — CID 118452539

IUPAC4-chloro-3-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline
SMILESCCCc1cc(NCc2ccc3oc(-c4nn[nH]n4)cc3c2)ccc1Cl
InChIInChI=1S/C19H18ClN5O/c1-2-3-13-9-15(5-6-16(13)20)21-11-12-4-7-17-14(8-12)10-18(26-17)19-22-24-25-23-19/h4-10,21H,2-3,11H2,1H3,(H,22,23,24,25)
InChIKeySVGGGDKEWZFSIV-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.83
Rot. Bonds6

About 4-chloro-3-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline

4-chloro-3-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline (PubChem CID 118452539) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is 4-chloro-3-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline.

Molecular Properties

Compound Name4-chloro-3-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline
PubChem CID118452539
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name4-chloro-3-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline
SMILESCCCc1cc(NCc2ccc3oc(-c4nn[nH]n4)cc3c2)ccc1Cl
InChIInChI=1S/C19H18ClN5O/c1-2-3-13-9-15(5-6-16(13)20)21-11-12-4-7-17-14(8-12)10-18(26-17)19-22-24-25-23-19/h4-10,21H,2-3,11H2,1H3,(H,22,23,24,25)
InChIKeySVGGGDKEWZFSIV-UHFFFAOYSA-N
XLogP4.83
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline?
The IUPAC name of 4-chloro-3-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline (CID 118452539) is 4-chloro-3-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline.
What is the SMILES notation for 4-chloro-3-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline?
The canonical SMILES for 4-chloro-3-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline is CCCc1cc(NCc2ccc3oc(-c4nn[nH]n4)cc3c2)ccc1Cl.
What is the InChIKey of 4-chloro-3-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline?
The InChIKey is SVGGGDKEWZFSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c1-2-3-13-9-15(5-6-16(13)20)21-11-12-4-7-17-14(8-12)10-18(26-17)19-22-24-25-23-19/h4-10,21H,2-3,11H2,1H3,(H,22,23,24,25).
What are the key properties of 4-chloro-3-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline?
4-chloro-3-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline has a molecular weight of 367.84 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline is sourced from PubChem (CID 118452539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).