N-(4-ethoxyphenyl)-1-pentylbenzimidazol-2-amine

C20H25N3O — CID 4697797

IUPACN-(4-ethoxyphenyl)-1-pentylbenzimidazol-2-amine
SMILESCCCCCn1c(Nc2ccc(OCC)cc2)nc2ccccc21
InChIInChI=1S/C20H25N3O/c1-3-5-8-15-23-19-10-7-6-9-18(19)22-20(23)21-16-11-13-17(14-12-16)24-4-2/h6-7,9-14H,3-5,8,15H2,1-2H3,(H,21,22)
InChIKeyCOJYZGIVGFHNPX-UHFFFAOYSA-N
MW323.44 g/mol
LogP5.37
Rot. Bonds8

About N-(4-ethoxyphenyl)-1-pentylbenzimidazol-2-amine

N-(4-ethoxyphenyl)-1-pentylbenzimidazol-2-amine (PubChem CID 4697797) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-pentylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-pentylbenzimidazol-2-amine
PubChem CID4697797
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-(4-ethoxyphenyl)-1-pentylbenzimidazol-2-amine
SMILESCCCCCn1c(Nc2ccc(OCC)cc2)nc2ccccc21
InChIInChI=1S/C20H25N3O/c1-3-5-8-15-23-19-10-7-6-9-18(19)22-20(23)21-16-11-13-17(14-12-16)24-4-2/h6-7,9-14H,3-5,8,15H2,1-2H3,(H,21,22)
InChIKeyCOJYZGIVGFHNPX-UHFFFAOYSA-N
XLogP5.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 55.37
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-N,4-N-diethyl-1-N-(1-pentylbenzimidazol-2-yl)benzene-1,4-diamine
CID 4697855
(1-pentylbenzimidazol-2-yl)hydrazine
CID 4136867
CID 70326426
CID 70326426
1-(2-phenoxyethyl)-N-phenylbenzimidazol-2-amine
CID 751751
2-[(1-pentylbenzimidazol-2-yl)amino]ethanol
CID 4697809
1-butyl-N-naphthalen-1-ylbenzimidazol-2-amine
CID 4697787
1-decyl-2-[(4-ethylphenoxy)methyl]benzimidazole
CID 16998310
1-ethyl-N-(4-fluorophenyl)benzimidazol-2-amine
CID 924376
N-(4-chlorophenyl)-1-ethylbenzimidazol-2-amine
CID 924403
2-[[(1-hexylbenzimidazol-2-yl)amino]methyl]phenol
CID 3442786
3-[(1-heptylbenzimidazol-2-yl)amino]propan-1-ol;hydrobromide
CID 2852129
N-(1-octylbenzimidazol-2-yl)benzamide
CID 21449929

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-pentylbenzimidazol-2-amine?
The IUPAC name of N-(4-ethoxyphenyl)-1-pentylbenzimidazol-2-amine (CID 4697797) is N-(4-ethoxyphenyl)-1-pentylbenzimidazol-2-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-pentylbenzimidazol-2-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-1-pentylbenzimidazol-2-amine is CCCCCn1c(Nc2ccc(OCC)cc2)nc2ccccc21.
What is the InChIKey of N-(4-ethoxyphenyl)-1-pentylbenzimidazol-2-amine?
The InChIKey is COJYZGIVGFHNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-3-5-8-15-23-19-10-7-6-9-18(19)22-20(23)21-16-11-13-17(14-12-16)24-4-2/h6-7,9-14H,3-5,8,15H2,1-2H3,(H,21,22).
What are the key properties of N-(4-ethoxyphenyl)-1-pentylbenzimidazol-2-amine?
N-(4-ethoxyphenyl)-1-pentylbenzimidazol-2-amine has a molecular weight of 323.44 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-pentylbenzimidazol-2-amine is sourced from PubChem (CID 4697797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).