N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylimidazole-4-carboxamide

C18H22N4O5 — CID 118652115

IUPACN-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)NC[C@H]1OC[C@@](O)(CNC(=O)c2ccccc2)[C@@H]1O
InChIInChI=1S/C18H22N4O5/c1-22-11-19-7-13(22)17(25)20-8-14-15(23)18(26,10-27-14)9-21-16(24)12-5-3-2-4-6-12/h2-7,11,14-15,23,26H,8-10H2,1H3,(H,20,25)(H,21,24)/t14-,15-,18+/m1/s1
InChIKeyFMHAGMRNJHTSLZ-RKVPGOIHSA-N
MW374.40 g/mol
LogP-0.93
Rot. Bonds6

About N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylimidazole-4-carboxamide

N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylimidazole-4-carboxamide (PubChem CID 118652115) has the molecular formula C18H22N4O5 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylimidazole-4-carboxamide
PubChem CID118652115
Molecular FormulaC18H22N4O5
Molecular Weight374.40 g/mol
Exact Mass374.16
IUPAC NameN-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)NC[C@H]1OC[C@@](O)(CNC(=O)c2ccccc2)[C@@H]1O
InChIInChI=1S/C18H22N4O5/c1-22-11-19-7-13(22)17(25)20-8-14-15(23)18(26,10-27-14)9-21-16(24)12-5-3-2-4-6-12/h2-7,11,14-15,23,26H,8-10H2,1H3,(H,20,25)(H,21,24)/t14-,15-,18+/m1/s1
InChIKeyFMHAGMRNJHTSLZ-RKVPGOIHSA-N
XLogP-0.93
TPSA125.71 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylimidazole-4-carboxamide with MolForge

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Related Compounds

5'-O-(benzylcarbamoyl)guanosine
CID 139030472
GP 531
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1-benzoyl-3-butyl-7-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-2,6-dione
CID 46876188
2-amino-9-[(2R,3R,4S,5R)-5-[(benzylamino)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-purin-6-one
CID 136026591
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-(2-phenylethynyl)imidazole-4-carboxamide
CID 490266
N2-Benzoylguanosine
CID 135490901
N2-Phenylacetylguanosine
CID 135525334
6-Benzylamino-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H,5H-1,3,5,7-tetraaza-azulene-4,8-dione
CID 511029
1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-6-phenethylamino-1H,5H-1,3,5,7-tetraaza-azulene-4,8-dione
CID 511030
1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-6-(3-phenyl-propylamino)-1H,5H-1,3,5,7-tetraaza-azulene-4,8-dione
CID 511031
1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-6-(4-phenyl-butylamino)-1H,5H-1,3,5,7-tetraaza-azulene-4,8-dione
CID 511032

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylimidazole-4-carboxamide?
The IUPAC name of N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylimidazole-4-carboxamide (CID 118652115) is N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylimidazole-4-carboxamide is Cn1cncc1C(=O)NC[C@H]1OC[C@@](O)(CNC(=O)c2ccccc2)[C@@H]1O.
What is the InChIKey of N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylimidazole-4-carboxamide?
The InChIKey is FMHAGMRNJHTSLZ-RKVPGOIHSA-N. The full InChI is InChI=1S/C18H22N4O5/c1-22-11-19-7-13(22)17(25)20-8-14-15(23)18(26,10-27-14)9-21-16(24)12-5-3-2-4-6-12/h2-7,11,14-15,23,26H,8-10H2,1H3,(H,20,25)(H,21,24)/t14-,15-,18+/m1/s1.
What are the key properties of N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylimidazole-4-carboxamide?
N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylimidazole-4-carboxamide has a molecular weight of 374.40 g/mol, XLogP of -0.93, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 118652115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).