2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C23H24N4O3 — CID 38100672

IUPAC2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C23H24N4O3/c28-22(18-9-7-17(8-10-18)15-27-12-11-24-16-27)26-21-6-2-1-5-20(21)23(29)25-14-19-4-3-13-30-19/h1-2,5-12,16,19H,3-4,13-15H2,(H,25,29)(H,26,28)/t19-/m0/s1
InChIKeyAXUOKZQKGVOLCE-IBGZPJMESA-N
MW404.47 g/mol
LogP3.09
Rot. Bonds7

About 2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 38100672) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID38100672
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C23H24N4O3/c28-22(18-9-7-17(8-10-18)15-27-12-11-24-16-27)26-21-6-2-1-5-20(21)23(29)25-14-19-4-3-13-30-19/h1-2,5-12,16,19H,3-4,13-15H2,(H,25,29)(H,26,28)/t19-/m0/s1
InChIKeyAXUOKZQKGVOLCE-IBGZPJMESA-N
XLogP3.09
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(imidazol-1-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93491347
2-[[4-(azepan-1-ylmethyl)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 38100664
2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690
N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 4922681
N-[[(2R)-oxolan-2-yl]methyl]-2-[[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide
CID 92672920
N-(oxolan-2-ylmethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 43013842
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
2-[(4-cyanobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 43013852
3-benzamido-4-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17226585
1-benzyl-5-chloro-3-methyl-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]pyrazole-4-carboxamide
CID 26724725
N-[4-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 26725077
2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4935365

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 38100672) is 2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of 2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is AXUOKZQKGVOLCE-IBGZPJMESA-N. The full InChI is InChI=1S/C23H24N4O3/c28-22(18-9-7-17(8-10-18)15-27-12-11-24-16-27)26-21-6-2-1-5-20(21)23(29)25-14-19-4-3-13-30-19/h1-2,5-12,16,19H,3-4,13-15H2,(H,25,29)(H,26,28)/t19-/m0/s1.
What are the key properties of 2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 404.47 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 38100672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).