3-(5-phenyl-1H-pyrrol-2-yl)benzenecarboximidamide

C17H15N3 — CID 89250354

IUPAC3-(5-phenyl-1H-pyrrol-2-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(-c2ccc(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C17H15N3/c18-17(19)14-8-4-7-13(11-14)16-10-9-15(20-16)12-5-2-1-3-6-12/h1-11,20H,(H3,18,19)
InChIKeyQQUOYXARFABLQF-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.63
Rot. Bonds3

About 3-(5-phenyl-1H-pyrrol-2-yl)benzenecarboximidamide

3-(5-phenyl-1H-pyrrol-2-yl)benzenecarboximidamide (PubChem CID 89250354) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-(5-phenyl-1H-pyrrol-2-yl)benzenecarboximidamide.

Molecular Properties

Compound Name3-(5-phenyl-1H-pyrrol-2-yl)benzenecarboximidamide
PubChem CID89250354
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name3-(5-phenyl-1H-pyrrol-2-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(-c2ccc(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C17H15N3/c18-17(19)14-8-4-7-13(11-14)16-10-9-15(20-16)12-5-2-1-3-6-12/h1-11,20H,(H3,18,19)
InChIKeyQQUOYXARFABLQF-UHFFFAOYSA-N
XLogP3.63
TPSA65.66 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-carbamimidoylphenyl)-1H-indole-5-carboximidamide
CID 3010563
benzenecarboximidamide;sulfane
CID 172701796
3-(2-tert-butyl-1H-imidazol-5-yl)benzenecarboximidamide
CID 58290735
3-[7-(3-carbamimidoylphenyl)naphthalen-2-yl]benzenecarboximidamide
CID 10338813
benzenecarboximidamide;hydron;chloride
CID 66824376
3-(4-chlorophenyl)benzenecarboximidamide
CID 6345111
benzenecarboximidamide;(4-phenylphenyl)methanamine
CID 145327292
ethane;4-phenylbenzenecarboximidamide
CID 91221015
3-sulfanylbenzenecarboximidamide
CID 69159686
benzenecarboximidamide;1H-pyrrole
CID 158593667
2-(4-phenylphenyl)-3H-benzimidazole-5-carboximidamide
CID 15435186
4-(3-carbamimidoylphenyl)pyrimidine-2-carboximidamide
CID 11776427

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-1H-pyrrol-2-yl)benzenecarboximidamide?
The IUPAC name of 3-(5-phenyl-1H-pyrrol-2-yl)benzenecarboximidamide (CID 89250354) is 3-(5-phenyl-1H-pyrrol-2-yl)benzenecarboximidamide.
What is the SMILES notation for 3-(5-phenyl-1H-pyrrol-2-yl)benzenecarboximidamide?
The canonical SMILES for 3-(5-phenyl-1H-pyrrol-2-yl)benzenecarboximidamide is [H]/N=C(\N)c1cccc(-c2ccc(-c3ccccc3)[nH]2)c1.
What is the InChIKey of 3-(5-phenyl-1H-pyrrol-2-yl)benzenecarboximidamide?
The InChIKey is QQUOYXARFABLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c18-17(19)14-8-4-7-13(11-14)16-10-9-15(20-16)12-5-2-1-3-6-12/h1-11,20H,(H3,18,19).
What are the key properties of 3-(5-phenyl-1H-pyrrol-2-yl)benzenecarboximidamide?
3-(5-phenyl-1H-pyrrol-2-yl)benzenecarboximidamide has a molecular weight of 261.33 g/mol, XLogP of 3.63, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-1H-pyrrol-2-yl)benzenecarboximidamide is sourced from PubChem (CID 89250354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).