N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine

C20H20N6 — CID 74230497

IUPACN-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine
SMILESCc1ccc2[nH]c(CCNc3nccc(-c4ccccn4)n3)nc2c1C
InChIInChI=1S/C20H20N6/c1-13-6-7-17-19(14(13)2)26-18(24-17)9-12-23-20-22-11-8-16(25-20)15-5-3-4-10-21-15/h3-8,10-11H,9,12H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyNIHIJWIGFWYYPP-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.69
Rot. Bonds5

About N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine

N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine (PubChem CID 74230497) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine
PubChem CID74230497
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC NameN-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine
SMILESCc1ccc2[nH]c(CCNc3nccc(-c4ccccn4)n3)nc2c1C
InChIInChI=1S/C20H20N6/c1-13-6-7-17-19(14(13)2)26-18(24-17)9-12-23-20-22-11-8-16(25-20)15-5-3-4-10-21-15/h3-8,10-11H,9,12H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyNIHIJWIGFWYYPP-UHFFFAOYSA-N
XLogP3.69
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]methanesulfonamide
CID 131934944
4,5-dimethyl-2-octyl-1H-benzimidazole
CID 54123054
1-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-methylmethanamine
CID 84618784
N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 74248691
N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide
CID 131918098
4-[2-[(4-pyridin-2-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide
CID 72844304
N-(2,5-dimethylphenyl)-4-pyridin-2-ylpyrimidin-2-amine
CID 14347047
2-N,4-N-bis[2-(1H-benzimidazol-2-yl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 167768772
6-methyl-1-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]propyl]pyridin-2-one
CID 72846744
N-[2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline
CID 55230581
4-pyridin-2-yl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine
CID 72844380
N-(2,4-dimethylphenyl)-4-pyridin-2-ylpyrimidin-2-amine
CID 14347083

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine?
The IUPAC name of N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine (CID 74230497) is N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine?
The canonical SMILES for N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine is Cc1ccc2[nH]c(CCNc3nccc(-c4ccccn4)n3)nc2c1C.
What is the InChIKey of N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine?
The InChIKey is NIHIJWIGFWYYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-13-6-7-17-19(14(13)2)26-18(24-17)9-12-23-20-22-11-8-16(25-20)15-5-3-4-10-21-15/h3-8,10-11H,9,12H2,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine?
N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine has a molecular weight of 344.42 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 74230497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).