N-(1-phenylethyl)-4-[5-(6-phenylpyridazin-3-yl)benzimidazol-1-yl]pyrimidin-2-amine

C29H23N7 — CID 18375700

IUPACN-(1-phenylethyl)-4-[5-(6-phenylpyridazin-3-yl)benzimidazol-1-yl]pyrimidin-2-amine
SMILESCC(Nc1nccc(-n2cnc3cc(-c4ccc(-c5ccccc5)nn4)ccc32)n1)c1ccccc1
InChIInChI=1S/C29H23N7/c1-20(21-8-4-2-5-9-21)32-29-30-17-16-28(33-29)36-19-31-26-18-23(12-15-27(26)36)25-14-13-24(34-35-25)22-10-6-3-7-11-22/h2-20H,1H3,(H,30,32,33)
InChIKeyBITJAJMHTFKBNJ-UHFFFAOYSA-N
MW469.55 g/mol
LogP6.11
Rot. Bonds6

About N-(1-phenylethyl)-4-[5-(6-phenylpyridazin-3-yl)benzimidazol-1-yl]pyrimidin-2-amine

N-(1-phenylethyl)-4-[5-(6-phenylpyridazin-3-yl)benzimidazol-1-yl]pyrimidin-2-amine (PubChem CID 18375700) has the molecular formula C29H23N7 and a molecular weight of 469.55 g/mol. Its IUPAC name is N-(1-phenylethyl)-4-[5-(6-phenylpyridazin-3-yl)benzimidazol-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-phenylethyl)-4-[5-(6-phenylpyridazin-3-yl)benzimidazol-1-yl]pyrimidin-2-amine
PubChem CID18375700
Molecular FormulaC29H23N7
Molecular Weight469.55 g/mol
Exact Mass469.20
IUPAC NameN-(1-phenylethyl)-4-[5-(6-phenylpyridazin-3-yl)benzimidazol-1-yl]pyrimidin-2-amine
SMILESCC(Nc1nccc(-n2cnc3cc(-c4ccc(-c5ccccc5)nn4)ccc32)n1)c1ccccc1
InChIInChI=1S/C29H23N7/c1-20(21-8-4-2-5-9-21)32-29-30-17-16-28(33-29)36-19-31-26-18-23(12-15-27(26)36)25-14-13-24(34-35-25)22-10-6-3-7-11-22/h2-20H,1H3,(H,30,32,33)
InChIKeyBITJAJMHTFKBNJ-UHFFFAOYSA-N
XLogP6.11
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.55
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1-phenylethyl)-4-[5-(6-phenylpyridazin-3-yl)benzimidazol-1-yl]pyrimidin-2-amine 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

4-[5-(2-hydrazinylpyrimidin-4-yl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375876
N-(1-phenylethyl)-4-(5-pyridin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine
CID 18375556
N'-[4-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]pyrimidin-2-yl]ethane-1,2-diamine
CID 18342778
4-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]benzene-1,2-diamine
CID 18375623
4-[5-(2-methylphenyl)benzimidazol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 59924910
N-[4-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]pyrimidin-2-yl]acetamide
CID 18342777
4-[5-(2-aminophenyl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375606
4-[5-(3-nitrophenyl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375704
4-[5-[3,5-bis(trifluoromethyl)phenyl]benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375983
4-(5-methoxybenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 59924945
4-[5-(4-amino-3-nitrophenyl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375995
4-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]-6-piperidin-1-ylpyrimidin-2-amine
CID 59924747

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-4-[5-(6-phenylpyridazin-3-yl)benzimidazol-1-yl]pyrimidin-2-amine?
The IUPAC name of N-(1-phenylethyl)-4-[5-(6-phenylpyridazin-3-yl)benzimidazol-1-yl]pyrimidin-2-amine (CID 18375700) is N-(1-phenylethyl)-4-[5-(6-phenylpyridazin-3-yl)benzimidazol-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(1-phenylethyl)-4-[5-(6-phenylpyridazin-3-yl)benzimidazol-1-yl]pyrimidin-2-amine?
The canonical SMILES for N-(1-phenylethyl)-4-[5-(6-phenylpyridazin-3-yl)benzimidazol-1-yl]pyrimidin-2-amine is CC(Nc1nccc(-n2cnc3cc(-c4ccc(-c5ccccc5)nn4)ccc32)n1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-4-[5-(6-phenylpyridazin-3-yl)benzimidazol-1-yl]pyrimidin-2-amine?
The InChIKey is BITJAJMHTFKBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N7/c1-20(21-8-4-2-5-9-21)32-29-30-17-16-28(33-29)36-19-31-26-18-23(12-15-27(26)36)25-14-13-24(34-35-25)22-10-6-3-7-11-22/h2-20H,1H3,(H,30,32,33).
What are the key properties of N-(1-phenylethyl)-4-[5-(6-phenylpyridazin-3-yl)benzimidazol-1-yl]pyrimidin-2-amine?
N-(1-phenylethyl)-4-[5-(6-phenylpyridazin-3-yl)benzimidazol-1-yl]pyrimidin-2-amine has a molecular weight of 469.55 g/mol, XLogP of 6.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-4-[5-(6-phenylpyridazin-3-yl)benzimidazol-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 18375700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).