N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetamide

C27H25N3O5 — CID 110207200

IUPACN-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetamide
SMILESCC1(C)CC(=O)c2c(O)cc(OCC(=O)N[C@@H](c3ccccc3)c3nc4ccccc4[nH]3)cc2O1
InChIInChI=1S/C27H25N3O5/c1-27(2)14-21(32)24-20(31)12-17(13-22(24)35-27)34-15-23(33)30-25(16-8-4-3-5-9-16)26-28-18-10-6-7-11-19(18)29-26/h3-13,25,31H,14-15H2,1-2H3,(H,28,29)(H,30,33)/t25-/m0/s1
InChIKeyUGKFGZKNXQRADN-VWLOTQADSA-N
MW471.51 g/mol
LogP4.30
Rot. Bonds6

About N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetamide

N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetamide (PubChem CID 110207200) has the molecular formula C27H25N3O5 and a molecular weight of 471.51 g/mol. Its IUPAC name is N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetamide
PubChem CID110207200
Molecular FormulaC27H25N3O5
Molecular Weight471.51 g/mol
Exact Mass471.18
IUPAC NameN-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetamide
SMILESCC1(C)CC(=O)c2c(O)cc(OCC(=O)N[C@@H](c3ccccc3)c3nc4ccccc4[nH]3)cc2O1
InChIInChI=1S/C27H25N3O5/c1-27(2)14-21(32)24-20(31)12-17(13-22(24)35-27)34-15-23(33)30-25(16-8-4-3-5-9-16)26-28-18-10-6-7-11-19(18)29-26/h3-13,25,31H,14-15H2,1-2H3,(H,28,29)(H,30,33)/t25-/m0/s1
InChIKeyUGKFGZKNXQRADN-VWLOTQADSA-N
XLogP4.30
TPSA113.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetyl]amino]-4-methylsulfanylbutanoic acid
CID 45369561
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N-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetamide
CID 98139928
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 110204562
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CID 18124163
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CID 139029632
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N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 78806700
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenoxy)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetamide?
The IUPAC name of N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetamide (CID 110207200) is N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetamide.
What is the SMILES notation for N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetamide?
The canonical SMILES for N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetamide is CC1(C)CC(=O)c2c(O)cc(OCC(=O)N[C@@H](c3ccccc3)c3nc4ccccc4[nH]3)cc2O1.
What is the InChIKey of N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetamide?
The InChIKey is UGKFGZKNXQRADN-VWLOTQADSA-N. The full InChI is InChI=1S/C27H25N3O5/c1-27(2)14-21(32)24-20(31)12-17(13-22(24)35-27)34-15-23(33)30-25(16-8-4-3-5-9-16)26-28-18-10-6-7-11-19(18)29-26/h3-13,25,31H,14-15H2,1-2H3,(H,28,29)(H,30,33)/t25-/m0/s1.
What are the key properties of N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetamide?
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetamide has a molecular weight of 471.51 g/mol, XLogP of 4.30, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetamide is sourced from PubChem (CID 110207200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).