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

C20H19N5 — CID 70111772

IUPAC4-(5-methylbenzimidazol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
SMILESCc1ccc2c(c1)ncn2-c1ccnc(NCCc2ccccc2)n1
InChIInChI=1S/C20H19N5/c1-15-7-8-18-17(13-15)23-14-25(18)19-10-12-22-20(24-19)21-11-9-16-5-3-2-4-6-16/h2-8,10,12-14H,9,11H2,1H3,(H,21,22,24)
InChIKeyZOSAACZWISSAJO-UHFFFAOYSA-N
MW329.41 g/mol
LogP3.78
Rot. Bonds5

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

4-(5-methylbenzimidazol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine (PubChem CID 70111772) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is 4-(5-methylbenzimidazol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-methylbenzimidazol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
PubChem CID70111772
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC Name4-(5-methylbenzimidazol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
SMILESCc1ccc2c(c1)ncn2-c1ccnc(NCCc2ccccc2)n1
InChIInChI=1S/C20H19N5/c1-15-7-8-18-17(13-15)23-14-25(18)19-10-12-22-20(24-19)21-11-9-16-5-3-2-4-6-16/h2-8,10,12-14H,9,11H2,1H3,(H,21,22,24)
InChIKeyZOSAACZWISSAJO-UHFFFAOYSA-N
XLogP3.78
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenylethyl)-4-(5-pyrimidin-5-ylbenzimidazol-1-yl)pyrimidin-2-amine
CID 70112792
N-(2-phenylethyl)-4-[5-(6-phenylpyridazin-3-yl)benzimidazol-1-yl]pyrimidin-2-amine
CID 70112010
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
N'-[4-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]pyrimidin-2-yl]ethane-1,2-diamine
CID 18342778
N-(2-phenylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636503
4-(benzimidazol-1-yl)-N-prop-2-enylpyrimidin-2-amine
CID 70003536
4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine
CID 112636504
tert-butyl 4-[2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]imidazole-1-carboxylate
CID 70133251
4-(benzimidazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine
CID 18375438
6-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 129086038

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylbenzimidazol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine?
The IUPAC name of 4-(5-methylbenzimidazol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine (CID 70111772) is 4-(5-methylbenzimidazol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(5-methylbenzimidazol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(5-methylbenzimidazol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine is Cc1ccc2c(c1)ncn2-c1ccnc(NCCc2ccccc2)n1.
What is the InChIKey of 4-(5-methylbenzimidazol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine?
The InChIKey is ZOSAACZWISSAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c1-15-7-8-18-17(13-15)23-14-25(18)19-10-12-22-20(24-19)21-11-9-16-5-3-2-4-6-16/h2-8,10,12-14H,9,11H2,1H3,(H,21,22,24).
What are the key properties of 4-(5-methylbenzimidazol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine?
4-(5-methylbenzimidazol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine has a molecular weight of 329.41 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylbenzimidazol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine is sourced from PubChem (CID 70111772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).