4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide

C27H25N5O4 — CID 41082917

IUPAC4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
SMILESC[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)C1=O
InChIInChI=1S/C27H25N5O4/c1-27(15-14-19-7-3-2-4-8-19)25(34)32(26(35)29-27)30-24(33)20-10-12-22(13-11-20)36-18-21-17-31-16-6-5-9-23(31)28-21/h2-13,16-17H,14-15,18H2,1H3,(H,29,35)(H,30,33)/t27-/m0/s1
InChIKeyRTCFGPYJPPBPGO-MHZLTWQESA-N
MW483.53 g/mol
LogP3.50
Rot. Bonds8

About 4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide

4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide (PubChem CID 41082917) has the molecular formula C27H25N5O4 and a molecular weight of 483.53 g/mol. Its IUPAC name is 4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide.

Molecular Properties

Compound Name4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
PubChem CID41082917
Molecular FormulaC27H25N5O4
Molecular Weight483.53 g/mol
Exact Mass483.19
IUPAC Name4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
SMILESC[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)C1=O
InChIInChI=1S/C27H25N5O4/c1-27(15-14-19-7-3-2-4-8-19)25(34)32(26(35)29-27)30-24(33)20-10-12-22(13-11-20)36-18-21-17-31-16-6-5-9-23(31)28-21/h2-13,16-17H,14-15,18H2,1H3,(H,29,35)(H,30,33)/t27-/m0/s1
InChIKeyRTCFGPYJPPBPGO-MHZLTWQESA-N
XLogP3.50
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 41188420
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-pyrrol-1-ylbenzamide
CID 9266876
7-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 46655285
N-[(3-chlorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 9402179
3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 17392520
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-pyrrol-1-ylbenzamide
CID 40972041
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9265772
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 40953027
4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-prop-2-enylbenzamide
CID 9400053
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide
CID 136513403
3-cyano-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
CID 46655208
2-(phenoxymethyl)imidazo[1,2-a]pyridine
CID 4702052

Frequently Asked Questions

What is the IUPAC name of 4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide?
The IUPAC name of 4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide (CID 41082917) is 4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide.
What is the SMILES notation for 4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide?
The canonical SMILES for 4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide is C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)C1=O.
What is the InChIKey of 4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide?
The InChIKey is RTCFGPYJPPBPGO-MHZLTWQESA-N. The full InChI is InChI=1S/C27H25N5O4/c1-27(15-14-19-7-3-2-4-8-19)25(34)32(26(35)29-27)30-24(33)20-10-12-22(13-11-20)36-18-21-17-31-16-6-5-9-23(31)28-21/h2-13,16-17H,14-15,18H2,1H3,(H,29,35)(H,30,33)/t27-/m0/s1.
What are the key properties of 4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide?
4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide has a molecular weight of 483.53 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide is sourced from PubChem (CID 41082917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).