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

C27H29N3O2 — CID 16967407

IUPACN-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCc1ccccc1OCCCCn1c(C(C)NC(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C27H29N3O2/c1-20-12-6-9-17-25(20)32-19-11-10-18-30-24-16-8-7-15-23(24)29-26(30)21(2)28-27(31)22-13-4-3-5-14-22/h3-9,12-17,21H,10-11,18-19H2,1-2H3,(H,28,31)
InChIKeyAZTHEGIIBANAPX-UHFFFAOYSA-N
MW427.55 g/mol
LogP5.69
Rot. Bonds9

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

N-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16967407) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID16967407
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC NameN-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCc1ccccc1OCCCCn1c(C(C)NC(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C27H29N3O2/c1-20-12-6-9-17-25(20)32-19-11-10-18-30-24-16-8-7-15-23(24)29-26(30)21(2)28-27(31)22-13-4-3-5-14-22/h3-9,12-17,21H,10-11,18-19H2,1-2H3,(H,28,31)
InChIKeyAZTHEGIIBANAPX-UHFFFAOYSA-N
XLogP5.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009690
N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963819
N-[1-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967403
N-[1-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967268
4-bromo-N-[1-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009407
N-[(1S)-1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100788
N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide
CID 16968624
N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967274
2-chloro-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967691
N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972578
N-[1-[1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967385
3,4,5-trimethoxy-N-[1-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009820

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of N-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide (CID 16967407) is N-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for N-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide is Cc1ccccc1OCCCCn1c(C(C)NC(=O)c2ccccc2)nc2ccccc21.
What is the InChIKey of N-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is AZTHEGIIBANAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-20-12-6-9-17-25(20)32-19-11-10-18-30-24-16-8-7-15-23(24)29-26(30)21(2)28-27(31)22-13-4-3-5-14-22/h3-9,12-17,21H,10-11,18-19H2,1-2H3,(H,28,31).
What are the key properties of N-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide?
N-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 427.55 g/mol, XLogP of 5.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16967407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).