2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3H-benzimidazole-5-carboximidamide

C22H26N4 — CID 11709967

IUPAC2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)[nH]c2c1
InChIInChI=1S/C22H26N4/c1-21(2)9-10-22(3,4)16-11-14(5-7-15(16)21)20-25-17-8-6-13(19(23)24)12-18(17)26-20/h5-8,11-12H,9-10H2,1-4H3,(H3,23,24)(H,25,26)
InChIKeyYFJZEXQCXXDBNW-UHFFFAOYSA-N
MW346.48 g/mol
LogP4.86
Rot. Bonds2

About 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3H-benzimidazole-5-carboximidamide

2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3H-benzimidazole-5-carboximidamide (PubChem CID 11709967) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3H-benzimidazole-5-carboximidamide.

Molecular Properties

Compound Name2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3H-benzimidazole-5-carboximidamide
PubChem CID11709967
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)[nH]c2c1
InChIInChI=1S/C22H26N4/c1-21(2)9-10-22(3,4)16-11-14(5-7-15(16)21)20-25-17-8-6-13(19(23)24)12-18(17)26-20/h5-8,11-12H,9-10H2,1-4H3,(H3,23,24)(H,25,26)
InChIKeyYFJZEXQCXXDBNW-UHFFFAOYSA-N
XLogP4.86
TPSA78.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-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

Related Compounds

2-[4-(4-carbamimidoylphenyl)phenyl]-3H-benzimidazole-5-carboximidamide
CID 5327049
2-(4-phenylphenyl)-3H-benzimidazole-5-carboximidamide
CID 15435186
2-[4-[[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)phenyl]methyl]phenyl]-3H-benzimidazole-5-carboximidamide
CID 10227902
2-[4-[4-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)phenoxy]butoxy]phenyl]-3H-benzimidazole-5-carboximidamide;tetrahydrochloride
CID 162642784
2-(5-methylpyrazin-2-yl)-3H-benzimidazole-5-carboximidamide
CID 22125515
2-[2-[4-(3,4-dimethoxyphenoxy)phenyl]-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboximidamide;trihydrochloride
CID 42631062
2-[5-(6-carbamimidoyl-1H-benzimidazol-2-yl)-1H-pyrrol-2-yl]-3H-benzimidazole-5-carboximidamide;ethanol
CID 139912797
2-[2-(4-carbamimidoylphenyl)-1H-imidazol-5-yl]-3H-benzimidazole-5-carboximidamide
CID 122219176
2-[5-[5-(4-carbamimidoylphenyl)furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide
CID 11990527
2-[5-(6-carbamimidoyl-1H-benzimidazol-2-yl)selenophen-2-yl]-3H-benzimidazole-5-carboximidamide;dihydrochloride
CID 146014497
2-[5-(4-carbamimidoylphenyl)-2-methoxyphenyl]-3H-benzimidazole-5-carboximidamide
CID 11280567
2-(5-carbamimidoylthiophen-2-yl)-3H-benzimidazole-5-carboximidamide
CID 137314301

Frequently Asked Questions

What is the IUPAC name of 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3H-benzimidazole-5-carboximidamide?
The IUPAC name of 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3H-benzimidazole-5-carboximidamide (CID 11709967) is 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3H-benzimidazole-5-carboximidamide.
What is the SMILES notation for 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3H-benzimidazole-5-carboximidamide?
The canonical SMILES for 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3H-benzimidazole-5-carboximidamide is [H]/N=C(\N)c1ccc2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)[nH]c2c1.
What is the InChIKey of 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3H-benzimidazole-5-carboximidamide?
The InChIKey is YFJZEXQCXXDBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-21(2)9-10-22(3,4)16-11-14(5-7-15(16)21)20-25-17-8-6-13(19(23)24)12-18(17)26-20/h5-8,11-12H,9-10H2,1-4H3,(H3,23,24)(H,25,26).
What are the key properties of 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3H-benzimidazole-5-carboximidamide?
2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3H-benzimidazole-5-carboximidamide has a molecular weight of 346.48 g/mol, XLogP of 4.86, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3H-benzimidazole-5-carboximidamide is sourced from PubChem (CID 11709967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).