N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)imidazo[1,2-b]pyridazine-3-carboxamide

C21H16N6O2 — CID 154589239

IUPACN-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCOc1ccc(-c2ccccc2)c2nc(NC(=O)c3cnc4cccnn34)[nH]c12
InChIInChI=1S/C21H16N6O2/c1-29-16-10-9-14(13-6-3-2-4-7-13)18-19(16)25-21(24-18)26-20(28)15-12-22-17-8-5-11-23-27(15)17/h2-12H,1H3,(H2,24,25,26,28)
InChIKeyUNXXLFJBKBUZFG-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.53
Rot. Bonds4

About N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)imidazo[1,2-b]pyridazine-3-carboxamide

N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 154589239) has the molecular formula C21H16N6O2 and a molecular weight of 384.40 g/mol. Its IUPAC name is N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID154589239
Molecular FormulaC21H16N6O2
Molecular Weight384.40 g/mol
Exact Mass384.13
IUPAC NameN-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCOc1ccc(-c2ccccc2)c2nc(NC(=O)c3cnc4cccnn34)[nH]c12
InChIInChI=1S/C21H16N6O2/c1-29-16-10-9-14(13-6-3-2-4-7-13)18-19(16)25-21(24-18)26-20(28)15-12-22-17-8-5-11-23-27(15)17/h2-12H,1H3,(H2,24,25,26,28)
InChIKeyUNXXLFJBKBUZFG-UHFFFAOYSA-N
XLogP3.53
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)benzene-1,4-dicarboxamide
CID 154973261
N-[7-methoxy-4-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-yl]pyridine-4-carboxamide
CID 175795176
(4Z,6E)-6-(imidazol-1-ylmethyl)-N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)-2-methylideneocta-4,6-dienamide
CID 167233495
4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenyl)-7-methoxy-1H-benzimidazol-2-yl]benzamide
CID 154589282
4-acetamido-N-[7-methoxy-4-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-yl]but-2-ynamide
CID 154589238
methyl 2-(imidazo[1,2-b]pyridazine-3-carbonylamino)pyridine-4-carboxylate
CID 162628080
N-[4-(3,6-dihydro-2H-pyran-4-yl)-7-methoxy-1H-benzimidazol-2-yl]-1-methylpyrazole-4-carboxamide
CID 154589244
N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 126470919
4-methoxy-3-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 49380377
N-(4-methoxy-7-phenyl-3H-indol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 147014443
methyl 7-methoxy-2-phenyl-1H-benzimidazole-4-carboxylate
CID 22663468
N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 10109223

Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)imidazo[1,2-b]pyridazine-3-carboxamide (CID 154589239) is N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)imidazo[1,2-b]pyridazine-3-carboxamide is COc1ccc(-c2ccccc2)c2nc(NC(=O)c3cnc4cccnn34)[nH]c12.
What is the InChIKey of N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is UNXXLFJBKBUZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O2/c1-29-16-10-9-14(13-6-3-2-4-7-13)18-19(16)25-21(24-18)26-20(28)15-12-22-17-8-5-11-23-27(15)17/h2-12H,1H3,(H2,24,25,26,28).
What are the key properties of N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 384.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 154589239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).