2-methoxy-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide

C27H29N3O3 — CID 17007722

IUPAC2-methoxy-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
SMILESCOc1ccccc1C(=O)NCc1nc2ccccc2n1CCCCOc1ccc(C)cc1
InChIInChI=1S/C27H29N3O3/c1-20-13-15-21(16-14-20)33-18-8-7-17-30-24-11-5-4-10-23(24)29-26(30)19-28-27(31)22-9-3-6-12-25(22)32-2/h3-6,9-16H,7-8,17-19H2,1-2H3,(H,28,31)
InChIKeyWBRFDGTWLZWFJI-UHFFFAOYSA-N
MW443.55 g/mol
LogP5.14
Rot. Bonds10

About 2-methoxy-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide

2-methoxy-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17007722) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17007722
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name2-methoxy-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
SMILESCOc1ccccc1C(=O)NCc1nc2ccccc2n1CCCCOc1ccc(C)cc1
InChIInChI=1S/C27H29N3O3/c1-20-13-15-21(16-14-20)33-18-8-7-17-30-24-11-5-4-10-23(24)29-26(30)19-28-27(31)22-9-3-6-12-25(22)32-2/h3-6,9-16H,7-8,17-19H2,1-2H3,(H,28,31)
InChIKeyWBRFDGTWLZWFJI-UHFFFAOYSA-N
XLogP5.14
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methoxybenzamide
CID 17007684
N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methoxybenzamide
CID 17007688
N-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
CID 17007057
2,4-dimethyl-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007092
2-methoxy-N-[[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17007646
2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 17007570
N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
CID 17007056
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methoxybenzamide
CID 17007568
N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006891
N-[[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
CID 17007029
2-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17006889
2-methoxy-N-[[1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007678

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 2-methoxy-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide (CID 17007722) is 2-methoxy-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 2-methoxy-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide is COc1ccccc1C(=O)NCc1nc2ccccc2n1CCCCOc1ccc(C)cc1.
What is the InChIKey of 2-methoxy-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is WBRFDGTWLZWFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-20-13-15-21(16-14-20)33-18-8-7-17-30-24-11-5-4-10-23(24)29-26(30)19-28-27(31)22-9-3-6-12-25(22)32-2/h3-6,9-16H,7-8,17-19H2,1-2H3,(H,28,31).
What are the key properties of 2-methoxy-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide?
2-methoxy-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 443.55 g/mol, XLogP of 5.14, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17007722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).