N-[4-(2-ethylbenzimidazol-1-yl)butyl]-3-phenylmethoxyaniline

C26H29N3O — CID 134815889

IUPACN-[4-(2-ethylbenzimidazol-1-yl)butyl]-3-phenylmethoxyaniline
SMILESCCc1nc2ccccc2n1CCCCNc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C26H29N3O/c1-2-26-28-24-15-6-7-16-25(24)29(26)18-9-8-17-27-22-13-10-14-23(19-22)30-20-21-11-4-3-5-12-21/h3-7,10-16,19,27H,2,8-9,17-18,20H2,1H3
InChIKeySULFYYPGMGMASU-UHFFFAOYSA-N
MW399.54 g/mol
LogP6.07
Rot. Bonds10

About N-[4-(2-ethylbenzimidazol-1-yl)butyl]-3-phenylmethoxyaniline

N-[4-(2-ethylbenzimidazol-1-yl)butyl]-3-phenylmethoxyaniline (PubChem CID 134815889) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[4-(2-ethylbenzimidazol-1-yl)butyl]-3-phenylmethoxyaniline.

Molecular Properties

Compound NameN-[4-(2-ethylbenzimidazol-1-yl)butyl]-3-phenylmethoxyaniline
PubChem CID134815889
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC NameN-[4-(2-ethylbenzimidazol-1-yl)butyl]-3-phenylmethoxyaniline
SMILESCCc1nc2ccccc2n1CCCCNc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C26H29N3O/c1-2-26-28-24-15-6-7-16-25(24)29(26)18-9-8-17-27-22-13-10-14-23(19-22)30-20-21-11-4-3-5-12-21/h3-7,10-16,19,27H,2,8-9,17-18,20H2,1H3
InChIKeySULFYYPGMGMASU-UHFFFAOYSA-N
XLogP6.07
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 56.07
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

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CID 2247
Coumarin 30
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Coumarin 7
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Metodesnitazene
CID 26412
2-(4-methoxyphenyl)-1H-1,3-benzodiazole
CID 345686
2-(2-methoxyphenyl)-1H-benzimidazole
CID 759420
Deltarasin
CID 73292904
ZK-806711
CID 448065
4-[2-Methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335939
[3-(4-{2'-[4-(3-Dimethylamino-propoxy)-phenyl]-3h,3'h-[5,5']bibenzoimidazolyl-2-yl}-phenoxy)-propyl]-dimethyl-amine
CID 1946
1-(4-methoxybenzyl)-2-(4-methoxyphenyl)-1H-benzo(d)imidazole
CID 746182

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethylbenzimidazol-1-yl)butyl]-3-phenylmethoxyaniline?
The IUPAC name of N-[4-(2-ethylbenzimidazol-1-yl)butyl]-3-phenylmethoxyaniline (CID 134815889) is N-[4-(2-ethylbenzimidazol-1-yl)butyl]-3-phenylmethoxyaniline.
What is the SMILES notation for N-[4-(2-ethylbenzimidazol-1-yl)butyl]-3-phenylmethoxyaniline?
The canonical SMILES for N-[4-(2-ethylbenzimidazol-1-yl)butyl]-3-phenylmethoxyaniline is CCc1nc2ccccc2n1CCCCNc1cccc(OCc2ccccc2)c1.
What is the InChIKey of N-[4-(2-ethylbenzimidazol-1-yl)butyl]-3-phenylmethoxyaniline?
The InChIKey is SULFYYPGMGMASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O/c1-2-26-28-24-15-6-7-16-25(24)29(26)18-9-8-17-27-22-13-10-14-23(19-22)30-20-21-11-4-3-5-12-21/h3-7,10-16,19,27H,2,8-9,17-18,20H2,1H3.
What are the key properties of N-[4-(2-ethylbenzimidazol-1-yl)butyl]-3-phenylmethoxyaniline?
N-[4-(2-ethylbenzimidazol-1-yl)butyl]-3-phenylmethoxyaniline has a molecular weight of 399.54 g/mol, XLogP of 6.07, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethylbenzimidazol-1-yl)butyl]-3-phenylmethoxyaniline is sourced from PubChem (CID 134815889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).