N-[[(2S)-1-(1-benzylimidazol-4-yl)-3-hydroxypropan-2-yl]-(2-methylpropyl)carbamoyl]benzamide

C25H30N4O3 — CID 102056384

IUPACN-[[(2S)-1-(1-benzylimidazol-4-yl)-3-hydroxypropan-2-yl]-(2-methylpropyl)carbamoyl]benzamide
SMILESCC(C)CN(C(=O)NC(=O)c1ccccc1)[C@H](CO)Cc1cn(Cc2ccccc2)cn1
InChIInChI=1S/C25H30N4O3/c1-19(2)14-29(25(32)27-24(31)21-11-7-4-8-12-21)23(17-30)13-22-16-28(18-26-22)15-20-9-5-3-6-10-20/h3-12,16,18-19,23,30H,13-15,17H2,1-2H3,(H,27,31,32)/t23-/m0/s1
InChIKeyFGXRWVCMTDSLRV-QHCPKHFHSA-N
MW434.54 g/mol
LogP3.34
Rot. Bonds9

About N-[[(2S)-1-(1-benzylimidazol-4-yl)-3-hydroxypropan-2-yl]-(2-methylpropyl)carbamoyl]benzamide

N-[[(2S)-1-(1-benzylimidazol-4-yl)-3-hydroxypropan-2-yl]-(2-methylpropyl)carbamoyl]benzamide (PubChem CID 102056384) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[[(2S)-1-(1-benzylimidazol-4-yl)-3-hydroxypropan-2-yl]-(2-methylpropyl)carbamoyl]benzamide.

Molecular Properties

Compound NameN-[[(2S)-1-(1-benzylimidazol-4-yl)-3-hydroxypropan-2-yl]-(2-methylpropyl)carbamoyl]benzamide
PubChem CID102056384
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-[[(2S)-1-(1-benzylimidazol-4-yl)-3-hydroxypropan-2-yl]-(2-methylpropyl)carbamoyl]benzamide
SMILESCC(C)CN(C(=O)NC(=O)c1ccccc1)[C@H](CO)Cc1cn(Cc2ccccc2)cn1
InChIInChI=1S/C25H30N4O3/c1-19(2)14-29(25(32)27-24(31)21-11-7-4-8-12-21)23(17-30)13-22-16-28(18-26-22)15-20-9-5-3-6-10-20/h3-12,16,18-19,23,30H,13-15,17H2,1-2H3,(H,27,31,32)/t23-/m0/s1
InChIKeyFGXRWVCMTDSLRV-QHCPKHFHSA-N
XLogP3.34
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-(1-benzylimidazol-4-yl)-3-hydroxypropan-2-yl]-(2-methylpropyl)carbamoyl]benzamide?
The IUPAC name of N-[[(2S)-1-(1-benzylimidazol-4-yl)-3-hydroxypropan-2-yl]-(2-methylpropyl)carbamoyl]benzamide (CID 102056384) is N-[[(2S)-1-(1-benzylimidazol-4-yl)-3-hydroxypropan-2-yl]-(2-methylpropyl)carbamoyl]benzamide.
What is the SMILES notation for N-[[(2S)-1-(1-benzylimidazol-4-yl)-3-hydroxypropan-2-yl]-(2-methylpropyl)carbamoyl]benzamide?
The canonical SMILES for N-[[(2S)-1-(1-benzylimidazol-4-yl)-3-hydroxypropan-2-yl]-(2-methylpropyl)carbamoyl]benzamide is CC(C)CN(C(=O)NC(=O)c1ccccc1)[C@H](CO)Cc1cn(Cc2ccccc2)cn1.
What is the InChIKey of N-[[(2S)-1-(1-benzylimidazol-4-yl)-3-hydroxypropan-2-yl]-(2-methylpropyl)carbamoyl]benzamide?
The InChIKey is FGXRWVCMTDSLRV-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-19(2)14-29(25(32)27-24(31)21-11-7-4-8-12-21)23(17-30)13-22-16-28(18-26-22)15-20-9-5-3-6-10-20/h3-12,16,18-19,23,30H,13-15,17H2,1-2H3,(H,27,31,32)/t23-/m0/s1.
What are the key properties of N-[[(2S)-1-(1-benzylimidazol-4-yl)-3-hydroxypropan-2-yl]-(2-methylpropyl)carbamoyl]benzamide?
N-[[(2S)-1-(1-benzylimidazol-4-yl)-3-hydroxypropan-2-yl]-(2-methylpropyl)carbamoyl]benzamide has a molecular weight of 434.54 g/mol, XLogP of 3.34, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-(1-benzylimidazol-4-yl)-3-hydroxypropan-2-yl]-(2-methylpropyl)carbamoyl]benzamide is sourced from PubChem (CID 102056384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).