4-(benzimidazol-1-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide

C27H28N4O3 — CID 31333795

IUPAC4-(benzimidazol-1-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
SMILESCOc1ccc([C@@H](CNC(=O)c2ccc(-n3cnc4ccccc43)cc2)N2CCOCC2)cc1
InChIInChI=1S/C27H28N4O3/c1-33-23-12-8-20(9-13-23)26(30-14-16-34-17-15-30)18-28-27(32)21-6-10-22(11-7-21)31-19-29-24-4-2-3-5-25(24)31/h2-13,19,26H,14-18H2,1H3,(H,28,32)/t26-/m1/s1
InChIKeyXNVRPKNIZUSEAN-AREMUKBSSA-N
MW456.55 g/mol
LogP3.84
Rot. Bonds7

About 4-(benzimidazol-1-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide

4-(benzimidazol-1-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide (PubChem CID 31333795) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
PubChem CID31333795
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC Name4-(benzimidazol-1-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
SMILESCOc1ccc([C@@H](CNC(=O)c2ccc(-n3cnc4ccccc43)cc2)N2CCOCC2)cc1
InChIInChI=1S/C27H28N4O3/c1-33-23-12-8-20(9-13-23)26(30-14-16-34-17-15-30)18-28-27(32)21-6-10-22(11-7-21)31-19-29-24-4-2-3-5-25(24)31/h2-13,19,26H,14-18H2,1H3,(H,28,32)/t26-/m1/s1
InChIKeyXNVRPKNIZUSEAN-AREMUKBSSA-N
XLogP3.84
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460518
4-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011129
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(phenylcarbamoylamino)benzamide
CID 95343423
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 7496625
4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 30335533
4-methoxy-N-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834563
N-[4-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 31429464
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2H-benzotriazole-5-carboxamide
CID 30530459
4-(benzimidazol-1-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 24625049
3-methoxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 18161673
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(tetrazol-1-yl)benzamide
CID 25495794

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide?
The IUPAC name of 4-(benzimidazol-1-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide (CID 31333795) is 4-(benzimidazol-1-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide?
The canonical SMILES for 4-(benzimidazol-1-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide is COc1ccc([C@@H](CNC(=O)c2ccc(-n3cnc4ccccc43)cc2)N2CCOCC2)cc1.
What is the InChIKey of 4-(benzimidazol-1-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide?
The InChIKey is XNVRPKNIZUSEAN-AREMUKBSSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-33-23-12-8-20(9-13-23)26(30-14-16-34-17-15-30)18-28-27(32)21-6-10-22(11-7-21)31-19-29-24-4-2-3-5-25(24)31/h2-13,19,26H,14-18H2,1H3,(H,28,32)/t26-/m1/s1.
What are the key properties of 4-(benzimidazol-1-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide?
4-(benzimidazol-1-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide has a molecular weight of 456.55 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide is sourced from PubChem (CID 31333795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).