N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide

C16H19N5O2 — CID 125442654

IUPACN-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCc1cnc([C@@H](C)NC(=O)c2cccc(N3CCNC3=O)c2)[nH]1
InChIInChI=1S/C16H19N5O2/c1-10-9-18-14(19-10)11(2)20-15(22)12-4-3-5-13(8-12)21-7-6-17-16(21)23/h3-5,8-9,11H,6-7H2,1-2H3,(H,17,23)(H,18,19)(H,20,22)/t11-/m1/s1
InChIKeyIOEVOQMNFOWOBQ-LLVKDONJSA-N
MW313.36 g/mol
LogP1.74
Rot. Bonds4

About N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide

N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 125442654) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID125442654
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCc1cnc([C@@H](C)NC(=O)c2cccc(N3CCNC3=O)c2)[nH]1
InChIInChI=1S/C16H19N5O2/c1-10-9-18-14(19-10)11(2)20-15(22)12-4-3-5-13(8-12)21-7-6-17-16(21)23/h3-5,8-9,11H,6-7H2,1-2H3,(H,17,23)(H,18,19)(H,20,22)/t11-/m1/s1
InChIKeyIOEVOQMNFOWOBQ-LLVKDONJSA-N
XLogP1.74
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(2-oxo-1,3-diazinan-1-yl)benzoyl]amino]propanoic acid
CID 119348696
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 55790801
N-[(1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 125160802
N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 118763797
N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-piperidin-1-ylbenzamide
CID 91796198
3-[(dimethylamino)methyl]-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide;formic acid
CID 154905248
methyl 3-(4-fluorophenyl)-3-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoate
CID 55997635
N-[2,3-bis(4-chlorophenyl)butyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 69375843
1-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 47047755
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 56895753
N'-[2-(4-fluorophenoxy)propanoyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide
CID 55702645
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 55851280

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide (CID 125442654) is N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide is Cc1cnc([C@@H](C)NC(=O)c2cccc(N3CCNC3=O)c2)[nH]1.
What is the InChIKey of N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is IOEVOQMNFOWOBQ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-10-9-18-14(19-10)11(2)20-15(22)12-4-3-5-13(8-12)21-7-6-17-16(21)23/h3-5,8-9,11H,6-7H2,1-2H3,(H,17,23)(H,18,19)(H,20,22)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide?
N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 313.36 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 125442654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).