N-[(2S,3S)-1-imidazol-1-yl-3-methylpentan-2-yl]-2-methoxy-4-phenylbenzamide

C23H27N3O2 — CID 155519556

IUPACN-[(2S,3S)-1-imidazol-1-yl-3-methylpentan-2-yl]-2-methoxy-4-phenylbenzamide
SMILESCC[C@H](C)[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1OC
InChIInChI=1S/C23H27N3O2/c1-4-17(2)21(15-26-13-12-24-16-26)25-23(27)20-11-10-19(14-22(20)28-3)18-8-6-5-7-9-18/h5-14,16-17,21H,4,15H2,1-3H3,(H,25,27)/t17-,21+/m0/s1
InChIKeyNACKWJOTQQJFQC-LAUBAEHRSA-N
MW377.49 g/mol
LogP4.40
Rot. Bonds8

About N-[(2S,3S)-1-imidazol-1-yl-3-methylpentan-2-yl]-2-methoxy-4-phenylbenzamide

N-[(2S,3S)-1-imidazol-1-yl-3-methylpentan-2-yl]-2-methoxy-4-phenylbenzamide (PubChem CID 155519556) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[(2S,3S)-1-imidazol-1-yl-3-methylpentan-2-yl]-2-methoxy-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(2S,3S)-1-imidazol-1-yl-3-methylpentan-2-yl]-2-methoxy-4-phenylbenzamide
PubChem CID155519556
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[(2S,3S)-1-imidazol-1-yl-3-methylpentan-2-yl]-2-methoxy-4-phenylbenzamide
SMILESCC[C@H](C)[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1OC
InChIInChI=1S/C23H27N3O2/c1-4-17(2)21(15-26-13-12-24-16-26)25-23(27)20-11-10-19(14-22(20)28-3)18-8-6-5-7-9-18/h5-14,16-17,21H,4,15H2,1-3H3,(H,25,27)/t17-,21+/m0/s1
InChIKeyNACKWJOTQQJFQC-LAUBAEHRSA-N
XLogP4.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-1-imidazol-1-yl-3-methylpentan-2-yl]-2-methoxy-4-phenylbenzamide?
The IUPAC name of N-[(2S,3S)-1-imidazol-1-yl-3-methylpentan-2-yl]-2-methoxy-4-phenylbenzamide (CID 155519556) is N-[(2S,3S)-1-imidazol-1-yl-3-methylpentan-2-yl]-2-methoxy-4-phenylbenzamide.
What is the SMILES notation for N-[(2S,3S)-1-imidazol-1-yl-3-methylpentan-2-yl]-2-methoxy-4-phenylbenzamide?
The canonical SMILES for N-[(2S,3S)-1-imidazol-1-yl-3-methylpentan-2-yl]-2-methoxy-4-phenylbenzamide is CC[C@H](C)[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1OC.
What is the InChIKey of N-[(2S,3S)-1-imidazol-1-yl-3-methylpentan-2-yl]-2-methoxy-4-phenylbenzamide?
The InChIKey is NACKWJOTQQJFQC-LAUBAEHRSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-4-17(2)21(15-26-13-12-24-16-26)25-23(27)20-11-10-19(14-22(20)28-3)18-8-6-5-7-9-18/h5-14,16-17,21H,4,15H2,1-3H3,(H,25,27)/t17-,21+/m0/s1.
What are the key properties of N-[(2S,3S)-1-imidazol-1-yl-3-methylpentan-2-yl]-2-methoxy-4-phenylbenzamide?
N-[(2S,3S)-1-imidazol-1-yl-3-methylpentan-2-yl]-2-methoxy-4-phenylbenzamide has a molecular weight of 377.49 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-1-imidazol-1-yl-3-methylpentan-2-yl]-2-methoxy-4-phenylbenzamide is sourced from PubChem (CID 155519556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).