N-[[1-[4-(4-butan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]-4-methoxybenzamide

C30H35N3O3 — CID 17008803

IUPACN-[[1-[4-(4-butan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]-4-methoxybenzamide
SMILESCCC(C)c1ccc(OCCCCn2c(CNC(=O)c3ccc(OC)cc3)nc3ccccc32)cc1
InChIInChI=1S/C30H35N3O3/c1-4-22(2)23-11-17-26(18-12-23)36-20-8-7-19-33-28-10-6-5-9-27(28)32-29(33)21-31-30(34)24-13-15-25(35-3)16-14-24/h5-6,9-18,22H,4,7-8,19-21H2,1-3H3,(H,31,34)
InChIKeyOYVWPFDNZUJZKX-UHFFFAOYSA-N
MW485.63 g/mol
LogP6.35
Rot. Bonds12

About N-[[1-[4-(4-butan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]-4-methoxybenzamide

N-[[1-[4-(4-butan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]-4-methoxybenzamide (PubChem CID 17008803) has the molecular formula C30H35N3O3 and a molecular weight of 485.63 g/mol. Its IUPAC name is N-[[1-[4-(4-butan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[[1-[4-(4-butan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]-4-methoxybenzamide
PubChem CID17008803
Molecular FormulaC30H35N3O3
Molecular Weight485.63 g/mol
Exact Mass485.27
IUPAC NameN-[[1-[4-(4-butan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]-4-methoxybenzamide
SMILESCCC(C)c1ccc(OCCCCn2c(CNC(=O)c3ccc(OC)cc3)nc3ccccc32)cc1
InChIInChI=1S/C30H35N3O3/c1-4-22(2)23-11-17-26(18-12-23)36-20-8-7-19-33-28-10-6-5-9-27(28)32-29(33)21-31-30(34)24-13-15-25(35-3)16-14-24/h5-6,9-18,22H,4,7-8,19-21H2,1-3H3,(H,31,34)
InChIKeyOYVWPFDNZUJZKX-UHFFFAOYSA-N
XLogP6.35
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.63
LogP ≤ 56.35
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-[3-(4-butan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide
CID 17008460
N-[5-[1-[4-(4-butan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991339
4-bromo-N-[[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17009209
N-[[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]-3-methoxybenzamide
CID 17007958
N-[[1-[4-(4-butan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007372
3-methoxy-N-[[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17008013
4-methoxy-N-[2-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976791
N-[[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965650
3-bromo-N-[[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008119
N-[[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006414
N-[[1-[3-(4-butan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide
CID 16971002
4-fluoro-N-[[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17008922

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(4-butan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]-4-methoxybenzamide?
The IUPAC name of N-[[1-[4-(4-butan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]-4-methoxybenzamide (CID 17008803) is N-[[1-[4-(4-butan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[[1-[4-(4-butan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]-4-methoxybenzamide?
The canonical SMILES for N-[[1-[4-(4-butan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]-4-methoxybenzamide is CCC(C)c1ccc(OCCCCn2c(CNC(=O)c3ccc(OC)cc3)nc3ccccc32)cc1.
What is the InChIKey of N-[[1-[4-(4-butan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]-4-methoxybenzamide?
The InChIKey is OYVWPFDNZUJZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O3/c1-4-22(2)23-11-17-26(18-12-23)36-20-8-7-19-33-28-10-6-5-9-27(28)32-29(33)21-31-30(34)24-13-15-25(35-3)16-14-24/h5-6,9-18,22H,4,7-8,19-21H2,1-3H3,(H,31,34).
What are the key properties of N-[[1-[4-(4-butan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]-4-methoxybenzamide?
N-[[1-[4-(4-butan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]-4-methoxybenzamide has a molecular weight of 485.63 g/mol, XLogP of 6.35, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(4-butan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]-4-methoxybenzamide is sourced from PubChem (CID 17008803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).