4-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline

C17H20N4 — CID 62473499

IUPAC4-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
SMILESCc1cc(CNc2ccc(-c3cnc[nH]3)cc2)c(C)n1C
InChIInChI=1S/C17H20N4/c1-12-8-15(13(2)21(12)3)9-19-16-6-4-14(5-7-16)17-10-18-11-20-17/h4-8,10-11,19H,9H2,1-3H3,(H,18,20)
InChIKeyLKWATQGTOFPGNT-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.64
Rot. Bonds4

About 4-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline

4-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline (PubChem CID 62473499) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 4-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
PubChem CID62473499
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name4-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
SMILESCc1cc(CNc2ccc(-c3cnc[nH]3)cc2)c(C)n1C
InChIInChI=1S/C17H20N4/c1-12-8-15(13(2)21(12)3)9-19-16-6-4-14(5-7-16)17-10-18-11-20-17/h4-8,10-11,19H,9H2,1-3H3,(H,18,20)
InChIKeyLKWATQGTOFPGNT-UHFFFAOYSA-N
XLogP3.64
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?
The IUPAC name of 4-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline (CID 62473499) is 4-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline.
What is the SMILES notation for 4-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?
The canonical SMILES for 4-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline is Cc1cc(CNc2ccc(-c3cnc[nH]3)cc2)c(C)n1C.
What is the InChIKey of 4-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?
The InChIKey is LKWATQGTOFPGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-12-8-15(13(2)21(12)3)9-19-16-6-4-14(5-7-16)17-10-18-11-20-17/h4-8,10-11,19H,9H2,1-3H3,(H,18,20).
What are the key properties of 4-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?
4-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline has a molecular weight of 280.38 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline is sourced from PubChem (CID 62473499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).