N-(2-phenylethyl)-4-(5-pyrimidin-5-ylbenzimidazol-1-yl)pyrimidin-2-amine

C23H19N7 — CID 70112792

IUPACN-(2-phenylethyl)-4-(5-pyrimidin-5-ylbenzimidazol-1-yl)pyrimidin-2-amine
SMILESc1ccc(CCNc2nccc(-n3cnc4cc(-c5cncnc5)ccc43)n2)cc1
InChIInChI=1S/C23H19N7/c1-2-4-17(5-3-1)8-10-26-23-27-11-9-22(29-23)30-16-28-20-12-18(6-7-21(20)30)19-13-24-15-25-14-19/h1-7,9,11-16H,8,10H2,(H,26,27,29)
InChIKeyHNFOBTZLVJHLHH-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.93
Rot. Bonds6

About N-(2-phenylethyl)-4-(5-pyrimidin-5-ylbenzimidazol-1-yl)pyrimidin-2-amine

N-(2-phenylethyl)-4-(5-pyrimidin-5-ylbenzimidazol-1-yl)pyrimidin-2-amine (PubChem CID 70112792) has the molecular formula C23H19N7 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-(5-pyrimidin-5-ylbenzimidazol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-(5-pyrimidin-5-ylbenzimidazol-1-yl)pyrimidin-2-amine
PubChem CID70112792
Molecular FormulaC23H19N7
Molecular Weight393.45 g/mol
Exact Mass393.17
IUPAC NameN-(2-phenylethyl)-4-(5-pyrimidin-5-ylbenzimidazol-1-yl)pyrimidin-2-amine
SMILESc1ccc(CCNc2nccc(-n3cnc4cc(-c5cncnc5)ccc43)n2)cc1
InChIInChI=1S/C23H19N7/c1-2-4-17(5-3-1)8-10-26-23-27-11-9-22(29-23)30-16-28-20-12-18(6-7-21(20)30)19-13-24-15-25-14-19/h1-7,9,11-16H,8,10H2,(H,26,27,29)
InChIKeyHNFOBTZLVJHLHH-UHFFFAOYSA-N
XLogP3.93
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-phenylethyl)-4-[5-(6-phenylpyridazin-3-yl)benzimidazol-1-yl]pyrimidin-2-amine
CID 70112010
4-(5-methylbenzimidazol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
CID 70111772
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-(benzimidazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-2-amine
CID 18375779
4-(benzimidazol-1-yl)-N-ethylpyrimidin-2-amine
CID 80854162
4-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine
CID 112886384
4-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]benzene-1,2-diamine
CID 18375623
4-(benzimidazol-1-yl)-N-prop-2-enylpyrimidin-2-amine
CID 70003536
4-[5-(2-hydrazinylpyrimidin-4-yl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375876
N'-[4-(benzimidazol-1-yl)pyrimidin-2-yl]-N-(5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 129086145
6-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 129086038

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-(5-pyrimidin-5-ylbenzimidazol-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(2-phenylethyl)-4-(5-pyrimidin-5-ylbenzimidazol-1-yl)pyrimidin-2-amine (CID 70112792) is N-(2-phenylethyl)-4-(5-pyrimidin-5-ylbenzimidazol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-phenylethyl)-4-(5-pyrimidin-5-ylbenzimidazol-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(2-phenylethyl)-4-(5-pyrimidin-5-ylbenzimidazol-1-yl)pyrimidin-2-amine is c1ccc(CCNc2nccc(-n3cnc4cc(-c5cncnc5)ccc43)n2)cc1.
What is the InChIKey of N-(2-phenylethyl)-4-(5-pyrimidin-5-ylbenzimidazol-1-yl)pyrimidin-2-amine?
The InChIKey is HNFOBTZLVJHLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7/c1-2-4-17(5-3-1)8-10-26-23-27-11-9-22(29-23)30-16-28-20-12-18(6-7-21(20)30)19-13-24-15-25-14-19/h1-7,9,11-16H,8,10H2,(H,26,27,29).
What are the key properties of N-(2-phenylethyl)-4-(5-pyrimidin-5-ylbenzimidazol-1-yl)pyrimidin-2-amine?
N-(2-phenylethyl)-4-(5-pyrimidin-5-ylbenzimidazol-1-yl)pyrimidin-2-amine has a molecular weight of 393.45 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-(5-pyrimidin-5-ylbenzimidazol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 70112792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).