2-[4-(4-oxochromen-2-yl)cyclohexa-2,4-dien-1-yl]-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide

C26H24N4O2 — CID 3007953

IUPAC2-[4-(4-oxochromen-2-yl)cyclohexa-2,4-dien-1-yl]-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide
SMILESCC(C)/N=C(\N)c1ccc2nc(C3C=CC(c4cc(=O)c5ccccc5o4)=CC3)[nH]c2c1
InChIInChI=1S/C26H24N4O2/c1-15(2)28-25(27)18-11-12-20-21(13-18)30-26(29-20)17-9-7-16(8-10-17)24-14-22(31)19-5-3-4-6-23(19)32-24/h3-9,11-15,17H,10H2,1-2H3,(H2,27,28)(H,29,30)
InChIKeyZLLUHRRVEUSHJY-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.91
Rot. Bonds4

About 2-[4-(4-oxochromen-2-yl)cyclohexa-2,4-dien-1-yl]-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide

2-[4-(4-oxochromen-2-yl)cyclohexa-2,4-dien-1-yl]-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide (PubChem CID 3007953) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-[4-(4-oxochromen-2-yl)cyclohexa-2,4-dien-1-yl]-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide.

Molecular Properties

Compound Name2-[4-(4-oxochromen-2-yl)cyclohexa-2,4-dien-1-yl]-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide
PubChem CID3007953
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name2-[4-(4-oxochromen-2-yl)cyclohexa-2,4-dien-1-yl]-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide
SMILESCC(C)/N=C(\N)c1ccc2nc(C3C=CC(c4cc(=O)c5ccccc5o4)=CC3)[nH]c2c1
InChIInChI=1S/C26H24N4O2/c1-15(2)28-25(27)18-11-12-20-21(13-18)30-26(29-20)17-9-7-16(8-10-17)24-14-22(31)19-5-3-4-6-23(19)32-24/h3-9,11-15,17H,10H2,1-2H3,(H2,27,28)(H,29,30)
InChIKeyZLLUHRRVEUSHJY-UHFFFAOYSA-N
XLogP4.91
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(4-oxochromen-2-yl)cyclohexa-2,4-dien-1-yl]-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-oxochromen-2-yl)cyclohexa-2,4-dien-1-yl]-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide?
The IUPAC name of 2-[4-(4-oxochromen-2-yl)cyclohexa-2,4-dien-1-yl]-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide (CID 3007953) is 2-[4-(4-oxochromen-2-yl)cyclohexa-2,4-dien-1-yl]-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide.
What is the SMILES notation for 2-[4-(4-oxochromen-2-yl)cyclohexa-2,4-dien-1-yl]-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide?
The canonical SMILES for 2-[4-(4-oxochromen-2-yl)cyclohexa-2,4-dien-1-yl]-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide is CC(C)/N=C(\N)c1ccc2nc(C3C=CC(c4cc(=O)c5ccccc5o4)=CC3)[nH]c2c1.
What is the InChIKey of 2-[4-(4-oxochromen-2-yl)cyclohexa-2,4-dien-1-yl]-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide?
The InChIKey is ZLLUHRRVEUSHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-15(2)28-25(27)18-11-12-20-21(13-18)30-26(29-20)17-9-7-16(8-10-17)24-14-22(31)19-5-3-4-6-23(19)32-24/h3-9,11-15,17H,10H2,1-2H3,(H2,27,28)(H,29,30).
What are the key properties of 2-[4-(4-oxochromen-2-yl)cyclohexa-2,4-dien-1-yl]-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide?
2-[4-(4-oxochromen-2-yl)cyclohexa-2,4-dien-1-yl]-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide has a molecular weight of 424.50 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-oxochromen-2-yl)cyclohexa-2,4-dien-1-yl]-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide is sourced from PubChem (CID 3007953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).