N-[4-[3-(cyclohexylamino)-5-phenylmethoxyimidazo[1,2-a]pyrimidin-2-yl]phenyl]acetamide

C27H29N5O2 — CID 142654701

IUPACN-[4-[3-(cyclohexylamino)-5-phenylmethoxyimidazo[1,2-a]pyrimidin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc3nccc(OCc4ccccc4)n3c2NC2CCCCC2)cc1
InChIInChI=1S/C27H29N5O2/c1-19(33)29-23-14-12-21(13-15-23)25-26(30-22-10-6-3-7-11-22)32-24(16-17-28-27(32)31-25)34-18-20-8-4-2-5-9-20/h2,4-5,8-9,12-17,22,30H,3,6-7,10-11,18H2,1H3,(H,29,33)
InChIKeyQITFCFHRCSACPO-UHFFFAOYSA-N
MW455.56 g/mol
LogP5.68
Rot. Bonds7

About N-[4-[3-(cyclohexylamino)-5-phenylmethoxyimidazo[1,2-a]pyrimidin-2-yl]phenyl]acetamide

N-[4-[3-(cyclohexylamino)-5-phenylmethoxyimidazo[1,2-a]pyrimidin-2-yl]phenyl]acetamide (PubChem CID 142654701) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-[4-[3-(cyclohexylamino)-5-phenylmethoxyimidazo[1,2-a]pyrimidin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(cyclohexylamino)-5-phenylmethoxyimidazo[1,2-a]pyrimidin-2-yl]phenyl]acetamide
PubChem CID142654701
Molecular FormulaC27H29N5O2
Molecular Weight455.56 g/mol
Exact Mass455.23
IUPAC NameN-[4-[3-(cyclohexylamino)-5-phenylmethoxyimidazo[1,2-a]pyrimidin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc3nccc(OCc4ccccc4)n3c2NC2CCCCC2)cc1
InChIInChI=1S/C27H29N5O2/c1-19(33)29-23-14-12-21(13-15-23)25-26(30-22-10-6-3-7-11-22)32-24(16-17-28-27(32)31-25)34-18-20-8-4-2-5-9-20/h2,4-5,8-9,12-17,22,30H,3,6-7,10-11,18H2,1H3,(H,29,33)
InChIKeyQITFCFHRCSACPO-UHFFFAOYSA-N
XLogP5.68
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(cyclohexylamino)-5-phenylmethoxyimidazo[1,2-a]pyrimidin-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3-(cyclohexylamino)-5-phenylmethoxyimidazo[1,2-a]pyrimidin-2-yl]phenyl]acetamide (CID 142654701) is N-[4-[3-(cyclohexylamino)-5-phenylmethoxyimidazo[1,2-a]pyrimidin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(cyclohexylamino)-5-phenylmethoxyimidazo[1,2-a]pyrimidin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-(cyclohexylamino)-5-phenylmethoxyimidazo[1,2-a]pyrimidin-2-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2nc3nccc(OCc4ccccc4)n3c2NC2CCCCC2)cc1.
What is the InChIKey of N-[4-[3-(cyclohexylamino)-5-phenylmethoxyimidazo[1,2-a]pyrimidin-2-yl]phenyl]acetamide?
The InChIKey is QITFCFHRCSACPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2/c1-19(33)29-23-14-12-21(13-15-23)25-26(30-22-10-6-3-7-11-22)32-24(16-17-28-27(32)31-25)34-18-20-8-4-2-5-9-20/h2,4-5,8-9,12-17,22,30H,3,6-7,10-11,18H2,1H3,(H,29,33).
What are the key properties of N-[4-[3-(cyclohexylamino)-5-phenylmethoxyimidazo[1,2-a]pyrimidin-2-yl]phenyl]acetamide?
N-[4-[3-(cyclohexylamino)-5-phenylmethoxyimidazo[1,2-a]pyrimidin-2-yl]phenyl]acetamide has a molecular weight of 455.56 g/mol, XLogP of 5.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(cyclohexylamino)-5-phenylmethoxyimidazo[1,2-a]pyrimidin-2-yl]phenyl]acetamide is sourced from PubChem (CID 142654701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).