N-methoxy-3-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxamide

C23H21N3O3 — CID 170106123

IUPACN-methoxy-3-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxamide
SMILESCONC(=O)c1ccc2ncn(-c3ccc(OCc4ccc(C)cc4)cc3)c2c1
InChIInChI=1S/C23H21N3O3/c1-16-3-5-17(6-4-16)14-29-20-10-8-19(9-11-20)26-15-24-21-12-7-18(13-22(21)26)23(27)25-28-2/h3-13,15H,14H2,1-2H3,(H,25,27)
InChIKeyRFULIAIJKNBTLL-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.20
Rot. Bonds6

About N-methoxy-3-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxamide

N-methoxy-3-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxamide (PubChem CID 170106123) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-methoxy-3-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-methoxy-3-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxamide
PubChem CID170106123
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-methoxy-3-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxamide
SMILESCONC(=O)c1ccc2ncn(-c3ccc(OCc4ccc(C)cc4)cc3)c2c1
InChIInChI=1S/C23H21N3O3/c1-16-3-5-17(6-4-16)14-29-20-10-8-19(9-11-20)26-15-24-21-12-7-18(13-22(21)26)23(27)25-28-2/h3-13,15H,14H2,1-2H3,(H,25,27)
InChIKeyRFULIAIJKNBTLL-UHFFFAOYSA-N
XLogP4.20
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxybenzimidazole-5-carboxamide
CID 169024525
3-[4-[(4-chlorophenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid
CID 166873730
1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 11751247
1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 121080191
1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid
CID 4525945
N-hydroxy-3-[(4-methylphenyl)methyl]benzimidazole-5-carboxamide
CID 87265938
[4-[3-(4-methoxyphenyl)benzimidazol-5-yl]phenyl]methanol
CID 139571338
N-(furan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxamide
CID 4546936
[4-[(4-methylphenyl)methoxy]phenyl]methyl imidazole-1-carboxylate
CID 51341654
N-(2-methoxyethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 11465893
N-[3-(4-methylpiperazin-1-yl)propyl]-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzimidazole-5-carboxamide
CID 11273057
N-methyl-1-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzimidazole-5-carboxamide
CID 67011817

Frequently Asked Questions

What is the IUPAC name of N-methoxy-3-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxamide?
The IUPAC name of N-methoxy-3-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxamide (CID 170106123) is N-methoxy-3-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxamide.
What is the SMILES notation for N-methoxy-3-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxamide?
The canonical SMILES for N-methoxy-3-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxamide is CONC(=O)c1ccc2ncn(-c3ccc(OCc4ccc(C)cc4)cc3)c2c1.
What is the InChIKey of N-methoxy-3-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxamide?
The InChIKey is RFULIAIJKNBTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-16-3-5-17(6-4-16)14-29-20-10-8-19(9-11-20)26-15-24-21-12-7-18(13-22(21)26)23(27)25-28-2/h3-13,15H,14H2,1-2H3,(H,25,27).
What are the key properties of N-methoxy-3-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxamide?
N-methoxy-3-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-3-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 170106123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).