N'-[6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methylpyrimidin-4-yl]-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine

C25H30N6O — CID 110225679

IUPACN'-[6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methylpyrimidin-4-yl]-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCOc1ccccc1C(CNc1cc(CCc2nc3ccccc3[nH]2)nc(C)n1)N(C)C
InChIInChI=1S/C25H30N6O/c1-17-27-18(13-14-24-29-20-10-6-7-11-21(20)30-24)15-25(28-17)26-16-22(31(2)3)19-9-5-8-12-23(19)32-4/h5-12,15,22H,13-14,16H2,1-4H3,(H,29,30)(H,26,27,28)
InChIKeyZFAPYKBFXWEZLH-UHFFFAOYSA-N
MW430.56 g/mol
LogP4.17
Rot. Bonds9

About N'-[6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methylpyrimidin-4-yl]-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine

N'-[6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methylpyrimidin-4-yl]-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine (PubChem CID 110225679) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is N'-[6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methylpyrimidin-4-yl]-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methylpyrimidin-4-yl]-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
PubChem CID110225679
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC NameN'-[6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methylpyrimidin-4-yl]-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCOc1ccccc1C(CNc1cc(CCc2nc3ccccc3[nH]2)nc(C)n1)N(C)C
InChIInChI=1S/C25H30N6O/c1-17-27-18(13-14-24-29-20-10-6-7-11-21(20)30-24)15-25(28-17)26-16-22(31(2)3)19-9-5-8-12-23(19)32-4/h5-12,15,22H,13-14,16H2,1-4H3,(H,29,30)(H,26,27,28)
InChIKeyZFAPYKBFXWEZLH-UHFFFAOYSA-N
XLogP4.17
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N'-[6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methylpyrimidin-4-yl]-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine 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 N'-[6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methylpyrimidin-4-yl]-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-[6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methylpyrimidin-4-yl]-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine (CID 110225679) is N'-[6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methylpyrimidin-4-yl]-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methylpyrimidin-4-yl]-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methylpyrimidin-4-yl]-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine is COc1ccccc1C(CNc1cc(CCc2nc3ccccc3[nH]2)nc(C)n1)N(C)C.
What is the InChIKey of N'-[6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methylpyrimidin-4-yl]-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is ZFAPYKBFXWEZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-17-27-18(13-14-24-29-20-10-6-7-11-21(20)30-24)15-25(28-17)26-16-22(31(2)3)19-9-5-8-12-23(19)32-4/h5-12,15,22H,13-14,16H2,1-4H3,(H,29,30)(H,26,27,28).
What are the key properties of N'-[6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methylpyrimidin-4-yl]-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
N'-[6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methylpyrimidin-4-yl]-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 430.56 g/mol, XLogP of 4.17, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methylpyrimidin-4-yl]-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 110225679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).