[2-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]morpholin-4-yl]-naphthalen-2-ylmethanone

C27H24N6O2 — CID 45486785

IUPAC[2-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]morpholin-4-yl]-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)N1CCOC(CNc2nccc(-n3cnc4ccccc43)n2)C1
InChIInChI=1S/C27H24N6O2/c34-26(21-10-9-19-5-1-2-6-20(19)15-21)32-13-14-35-22(17-32)16-29-27-28-12-11-25(31-27)33-18-30-23-7-3-4-8-24(23)33/h1-12,15,18,22H,13-14,16-17H2,(H,28,29,31)
InChIKeyHJTOUYVFHUQUBN-UHFFFAOYSA-N
MW464.53 g/mol
LogP3.92
Rot. Bonds5

About [2-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]morpholin-4-yl]-naphthalen-2-ylmethanone

[2-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]morpholin-4-yl]-naphthalen-2-ylmethanone (PubChem CID 45486785) has the molecular formula C27H24N6O2 and a molecular weight of 464.53 g/mol. Its IUPAC name is [2-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]morpholin-4-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[2-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]morpholin-4-yl]-naphthalen-2-ylmethanone
PubChem CID45486785
Molecular FormulaC27H24N6O2
Molecular Weight464.53 g/mol
Exact Mass464.20
IUPAC Name[2-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]morpholin-4-yl]-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)N1CCOC(CNc2nccc(-n3cnc4ccccc43)n2)C1
InChIInChI=1S/C27H24N6O2/c34-26(21-10-9-19-5-1-2-6-20(19)15-21)32-13-14-35-22(17-32)16-29-27-28-12-11-25(31-27)33-18-30-23-7-3-4-8-24(23)33/h1-12,15,18,22H,13-14,16-17H2,(H,28,29,31)
InChIKeyHJTOUYVFHUQUBN-UHFFFAOYSA-N
XLogP3.92
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]morpholin-4-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [2-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]morpholin-4-yl]-naphthalen-2-ylmethanone (CID 45486785) is [2-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]morpholin-4-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [2-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]morpholin-4-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [2-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]morpholin-4-yl]-naphthalen-2-ylmethanone is O=C(c1ccc2ccccc2c1)N1CCOC(CNc2nccc(-n3cnc4ccccc43)n2)C1.
What is the InChIKey of [2-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]morpholin-4-yl]-naphthalen-2-ylmethanone?
The InChIKey is HJTOUYVFHUQUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O2/c34-26(21-10-9-19-5-1-2-6-20(19)15-21)32-13-14-35-22(17-32)16-29-27-28-12-11-25(31-27)33-18-30-23-7-3-4-8-24(23)33/h1-12,15,18,22H,13-14,16-17H2,(H,28,29,31).
What are the key properties of [2-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]morpholin-4-yl]-naphthalen-2-ylmethanone?
[2-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]morpholin-4-yl]-naphthalen-2-ylmethanone has a molecular weight of 464.53 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]morpholin-4-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 45486785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).