2-[3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromen-8-yl]-N-cyclopropylacetamide

C25H24N6O2 — CID 46881479

IUPAC2-[3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromen-8-yl]-N-cyclopropylacetamide
SMILESNc1nccc(-c2ccc3nc(C4COc5c(CC(=O)NC6CC6)cccc5C4)[nH]c3c2)n1
InChIInChI=1S/C25H24N6O2/c26-25-27-9-8-19(31-25)14-4-7-20-21(11-14)30-24(29-20)17-10-15-2-1-3-16(23(15)33-13-17)12-22(32)28-18-5-6-18/h1-4,7-9,11,17-18H,5-6,10,12-13H2,(H,28,32)(H,29,30)(H2,26,27,31)
InChIKeyQESAMTXGZKKXSR-UHFFFAOYSA-N
MW440.51 g/mol
LogP3.14
Rot. Bonds5

About 2-[3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromen-8-yl]-N-cyclopropylacetamide

2-[3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromen-8-yl]-N-cyclopropylacetamide (PubChem CID 46881479) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 2-[3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromen-8-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromen-8-yl]-N-cyclopropylacetamide
PubChem CID46881479
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name2-[3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromen-8-yl]-N-cyclopropylacetamide
SMILESNc1nccc(-c2ccc3nc(C4COc5c(CC(=O)NC6CC6)cccc5C4)[nH]c3c2)n1
InChIInChI=1S/C25H24N6O2/c26-25-27-9-8-19(31-25)14-4-7-20-21(11-14)30-24(29-20)17-10-15-2-1-3-16(23(15)33-13-17)12-22(32)28-18-5-6-18/h1-4,7-9,11,17-18H,5-6,10,12-13H2,(H,28,32)(H,29,30)(H2,26,27,31)
InChIKeyQESAMTXGZKKXSR-UHFFFAOYSA-N
XLogP3.14
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Lifirafenib
CID 89670174
4-(7-fluoro-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3H-benzo[d]imidazol-5-yl)pyrimidin-2-amine
CID 44129168
3-(6-(2-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2-yl)-N-cyclopropyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 44563190
3-(6-(2-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2-yl)-N-benzylchroman-6-carboxamide
CID 44563191
3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 46881514
3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 46881516
3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 46881563
4-[2-anilino-4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]benzamide
CID 137649794
methyl 3-(6-(2-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2-yl)-3,4-dihydro-2H-chromene-6-carboxylate
CID 44129169
4-(2-(6-isopropoxy-3,4-dihydro-2H-chromen-3-yl)-3H-benzo[d]imidazol-5-yl)pyrimidin-2-amine
CID 44562684
4-(2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-3H-benzo[d]imidazol-5-yl)pyrimidin-2-amine
CID 44562686
2-(chroman-3-yl)-6-(pyridin-4-yl)-1H-benzo[d]imidazole
CID 44563186

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromen-8-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromen-8-yl]-N-cyclopropylacetamide (CID 46881479) is 2-[3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromen-8-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromen-8-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromen-8-yl]-N-cyclopropylacetamide is Nc1nccc(-c2ccc3nc(C4COc5c(CC(=O)NC6CC6)cccc5C4)[nH]c3c2)n1.
What is the InChIKey of 2-[3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromen-8-yl]-N-cyclopropylacetamide?
The InChIKey is QESAMTXGZKKXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c26-25-27-9-8-19(31-25)14-4-7-20-21(11-14)30-24(29-20)17-10-15-2-1-3-16(23(15)33-13-17)12-22(32)28-18-5-6-18/h1-4,7-9,11,17-18H,5-6,10,12-13H2,(H,28,32)(H,29,30)(H2,26,27,31).
What are the key properties of 2-[3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromen-8-yl]-N-cyclopropylacetamide?
2-[3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromen-8-yl]-N-cyclopropylacetamide has a molecular weight of 440.51 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromen-8-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 46881479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).