4-(1H-imidazol-5-yl)-N-[(1-methylpyrrol-2-yl)methyl]aniline

C15H16N4 — CID 62132582

IUPAC4-(1H-imidazol-5-yl)-N-[(1-methylpyrrol-2-yl)methyl]aniline
SMILESCn1cccc1CNc1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C15H16N4/c1-19-8-2-3-14(19)9-17-13-6-4-12(5-7-13)15-10-16-11-18-15/h2-8,10-11,17H,9H2,1H3,(H,16,18)
InChIKeyMCHKEJWPEFCBKD-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.03
Rot. Bonds4

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

4-(1H-imidazol-5-yl)-N-[(1-methylpyrrol-2-yl)methyl]aniline (PubChem CID 62132582) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-(1H-imidazol-5-yl)-N-[(1-methylpyrrol-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-(1H-imidazol-5-yl)-N-[(1-methylpyrrol-2-yl)methyl]aniline
PubChem CID62132582
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name4-(1H-imidazol-5-yl)-N-[(1-methylpyrrol-2-yl)methyl]aniline
SMILESCn1cccc1CNc1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C15H16N4/c1-19-8-2-3-14(19)9-17-13-6-4-12(5-7-13)15-10-16-11-18-15/h2-8,10-11,17H,9H2,1H3,(H,16,18)
InChIKeyMCHKEJWPEFCBKD-UHFFFAOYSA-N
XLogP3.03
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.03
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-methylpyrrol-2-yl)methyl]aniline?
The IUPAC name of 4-(1H-imidazol-5-yl)-N-[(1-methylpyrrol-2-yl)methyl]aniline (CID 62132582) is 4-(1H-imidazol-5-yl)-N-[(1-methylpyrrol-2-yl)methyl]aniline.
What is the SMILES notation for 4-(1H-imidazol-5-yl)-N-[(1-methylpyrrol-2-yl)methyl]aniline?
The canonical SMILES for 4-(1H-imidazol-5-yl)-N-[(1-methylpyrrol-2-yl)methyl]aniline is Cn1cccc1CNc1ccc(-c2cnc[nH]2)cc1.
What is the InChIKey of 4-(1H-imidazol-5-yl)-N-[(1-methylpyrrol-2-yl)methyl]aniline?
The InChIKey is MCHKEJWPEFCBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-19-8-2-3-14(19)9-17-13-6-4-12(5-7-13)15-10-16-11-18-15/h2-8,10-11,17H,9H2,1H3,(H,16,18).
What are the key properties of 4-(1H-imidazol-5-yl)-N-[(1-methylpyrrol-2-yl)methyl]aniline?
4-(1H-imidazol-5-yl)-N-[(1-methylpyrrol-2-yl)methyl]aniline has a molecular weight of 252.32 g/mol, XLogP of 3.03, 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-methylpyrrol-2-yl)methyl]aniline is sourced from PubChem (CID 62132582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).