N,2-bis(4-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide

C28H29N5O3 — CID 67687499

IUPACN,2-bis(4-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1ccc2nc(-c3ccc(N4CCOCC4)cc3)[nH]c2c1
InChIInChI=1S/C28H29N5O3/c34-28(29-22-4-8-24(9-5-22)33-13-17-36-18-14-33)21-3-10-25-26(19-21)31-27(30-25)20-1-6-23(7-2-20)32-11-15-35-16-12-32/h1-10,19H,11-18H2,(H,29,34)(H,30,31)
InChIKeyNFZHWWRGKWCFBV-UHFFFAOYSA-N
MW483.57 g/mol
LogP4.16
Rot. Bonds5

About N,2-bis(4-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide

N,2-bis(4-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 67687499) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is N,2-bis(4-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN,2-bis(4-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide
PubChem CID67687499
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC NameN,2-bis(4-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1ccc2nc(-c3ccc(N4CCOCC4)cc3)[nH]c2c1
InChIInChI=1S/C28H29N5O3/c34-28(29-22-4-8-24(9-5-22)33-13-17-36-18-14-33)21-3-10-25-26(19-21)31-27(30-25)20-1-6-23(7-2-20)32-11-15-35-16-12-32/h1-10,19H,11-18H2,(H,29,34)(H,30,31)
InChIKeyNFZHWWRGKWCFBV-UHFFFAOYSA-N
XLogP4.16
TPSA82.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide
CID 67686989
N-[2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-3H-benzimidazol-5-yl]-4-morpholin-4-ylbenzamide
CID 67112884
4-[6-[2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 148819854
2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-amine
CID 17325486
N-[4-(dimethylamino)phenyl]-2-[4-[[4-(dimethylamino)phenyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686135
N-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-2-[4-(dimethylamino)phenyl]-3H-benzimidazole-5-carboxamide
CID 67112793
3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 10166808
2-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid
CID 162530956
ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 142812938
4-[4-[5-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]-1,3,4-oxadiazol-2-yl]phenyl]morpholine
CID 67114161
2-[4-(cyclohexanecarbonylamino)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
CID 11407983
2-(4-benzamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide
CID 10274855

Frequently Asked Questions

What is the IUPAC name of N,2-bis(4-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N,2-bis(4-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide (CID 67687499) is N,2-bis(4-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N,2-bis(4-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N,2-bis(4-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc2nc(-c3ccc(N4CCOCC4)cc3)[nH]c2c1.
What is the InChIKey of N,2-bis(4-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is NFZHWWRGKWCFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c34-28(29-22-4-8-24(9-5-22)33-13-17-36-18-14-33)21-3-10-25-26(19-21)31-27(30-25)20-1-6-23(7-2-20)32-11-15-35-16-12-32/h1-10,19H,11-18H2,(H,29,34)(H,30,31).
What are the key properties of N,2-bis(4-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide?
N,2-bis(4-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis(4-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 67687499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).