N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide

C24H22N4O2 — CID 67686989

IUPACN-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide
SMILESO=C(Nc1ccc2nc(-c3ccc(N4CCOCC4)cc3)[nH]c2c1)c1ccccc1
InChIInChI=1S/C24H22N4O2/c29-24(18-4-2-1-3-5-18)25-19-8-11-21-22(16-19)27-23(26-21)17-6-9-20(10-7-17)28-12-14-30-15-13-28/h1-11,16H,12-15H2,(H,25,29)(H,26,27)
InChIKeyCDXZCSZLFCBGOS-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.32
Rot. Bonds4

About N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide

N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide (PubChem CID 67686989) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide
PubChem CID67686989
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide
SMILESO=C(Nc1ccc2nc(-c3ccc(N4CCOCC4)cc3)[nH]c2c1)c1ccccc1
InChIInChI=1S/C24H22N4O2/c29-24(18-4-2-1-3-5-18)25-19-8-11-21-22(16-19)27-23(26-21)17-6-9-20(10-7-17)28-12-14-30-15-13-28/h1-11,16H,12-15H2,(H,25,29)(H,26,27)
InChIKeyCDXZCSZLFCBGOS-UHFFFAOYSA-N
XLogP4.32
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Related Compounds

N,2-bis(4-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide
CID 67687499
N-[2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-3H-benzimidazol-5-yl]-4-morpholin-4-ylbenzamide
CID 67112884
N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide
CID 53371216
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide
CID 20694943
4-[(2-phenylacetyl)amino]-N-[4-[6-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 2832124
4-[6-[2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 148819854
acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 138393444
N-[4-[6-(1,2,2-tricyanoethenylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 168608096
2-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid
CID 162530956
2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-amine
CID 17325486
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]adamantane-1-carboxamide
CID 10163454

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide?
The IUPAC name of N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide (CID 67686989) is N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide.
What is the SMILES notation for N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide?
The canonical SMILES for N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide is O=C(Nc1ccc2nc(-c3ccc(N4CCOCC4)cc3)[nH]c2c1)c1ccccc1.
What is the InChIKey of N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide?
The InChIKey is CDXZCSZLFCBGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c29-24(18-4-2-1-3-5-18)25-19-8-11-21-22(16-19)27-23(26-21)17-6-9-20(10-7-17)28-12-14-30-15-13-28/h1-11,16H,12-15H2,(H,25,29)(H,26,27).
What are the key properties of N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide?
N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide has a molecular weight of 398.47 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide is sourced from PubChem (CID 67686989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).