4-(5-hexoxybenzimidazol-1-yl)aniline

C19H23N3O — CID 130424399

IUPAC4-(5-hexoxybenzimidazol-1-yl)aniline
SMILESCCCCCCOc1ccc2c(c1)ncn2-c1ccc(N)cc1
InChIInChI=1S/C19H23N3O/c1-2-3-4-5-12-23-17-10-11-19-18(13-17)21-14-22(19)16-8-6-15(20)7-9-16/h6-11,13-14H,2-5,12,20H2,1H3
InChIKeyLUEMSEDXCYCHSU-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.57
Rot. Bonds7

About 4-(5-hexoxybenzimidazol-1-yl)aniline

4-(5-hexoxybenzimidazol-1-yl)aniline (PubChem CID 130424399) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-(5-hexoxybenzimidazol-1-yl)aniline.

Molecular Properties

Compound Name4-(5-hexoxybenzimidazol-1-yl)aniline
PubChem CID130424399
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name4-(5-hexoxybenzimidazol-1-yl)aniline
SMILESCCCCCCOc1ccc2c(c1)ncn2-c1ccc(N)cc1
InChIInChI=1S/C19H23N3O/c1-2-3-4-5-12-23-17-10-11-19-18(13-17)21-14-22(19)16-8-6-15(20)7-9-16/h6-11,13-14H,2-5,12,20H2,1H3
InChIKeyLUEMSEDXCYCHSU-UHFFFAOYSA-N
XLogP4.57
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[5-(2-methoxyethoxy)benzimidazol-1-yl]aniline
CID 130424385
4-[5-[3-(4-methylpiperazin-1-yl)propoxy]benzimidazol-1-yl]aniline
CID 130424581
N,N-dimethyl-4-(1-phenylbenzimidazol-5-yl)oxybutan-1-amine;dihydrochloride
CID 22004137
(1Z)-1-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-3-[4-(5-hexoxybenzimidazol-1-yl)phenyl]urea;molecular hydrogen
CID 145364902
2-(5-hexoxybenzimidazol-1-yl)acetic acid
CID 135220960
1-(4-aminophenyl)benzimidazol-5-ol;ethane
CID 145364845
4-heptoxybenzene-1,2-diamine
CID 54795786
azane;ethane;ethene;4-octadecoxyaniline
CID 142260214
4-(2-heptoxyethoxy)aniline
CID 43366149
4-[2-(4-hexoxyphenyl)ethynyl]aniline
CID 22644339
[4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamic acid
CID 137375457
1-(3,5-dimethylphenyl)benzimidazol-5-amine
CID 62508491

Frequently Asked Questions

What is the IUPAC name of 4-(5-hexoxybenzimidazol-1-yl)aniline?
The IUPAC name of 4-(5-hexoxybenzimidazol-1-yl)aniline (CID 130424399) is 4-(5-hexoxybenzimidazol-1-yl)aniline.
What is the SMILES notation for 4-(5-hexoxybenzimidazol-1-yl)aniline?
The canonical SMILES for 4-(5-hexoxybenzimidazol-1-yl)aniline is CCCCCCOc1ccc2c(c1)ncn2-c1ccc(N)cc1.
What is the InChIKey of 4-(5-hexoxybenzimidazol-1-yl)aniline?
The InChIKey is LUEMSEDXCYCHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-2-3-4-5-12-23-17-10-11-19-18(13-17)21-14-22(19)16-8-6-15(20)7-9-16/h6-11,13-14H,2-5,12,20H2,1H3.
What are the key properties of 4-(5-hexoxybenzimidazol-1-yl)aniline?
4-(5-hexoxybenzimidazol-1-yl)aniline has a molecular weight of 309.41 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hexoxybenzimidazol-1-yl)aniline is sourced from PubChem (CID 130424399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).