N-[4-(2-ethyl-6-methylbenzimidazol-1-yl)butyl]aniline

C20H25N3 — CID 122190771

IUPACN-[4-(2-ethyl-6-methylbenzimidazol-1-yl)butyl]aniline
SMILESCCc1nc2ccc(C)cc2n1CCCCNc1ccccc1
InChIInChI=1S/C20H25N3/c1-3-20-22-18-12-11-16(2)15-19(18)23(20)14-8-7-13-21-17-9-5-4-6-10-17/h4-6,9-12,15,21H,3,7-8,13-14H2,1-2H3
InChIKeyBETKFLYJJHFARQ-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.80
Rot. Bonds7

About N-[4-(2-ethyl-6-methylbenzimidazol-1-yl)butyl]aniline

N-[4-(2-ethyl-6-methylbenzimidazol-1-yl)butyl]aniline (PubChem CID 122190771) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[4-(2-ethyl-6-methylbenzimidazol-1-yl)butyl]aniline.

Molecular Properties

Compound NameN-[4-(2-ethyl-6-methylbenzimidazol-1-yl)butyl]aniline
PubChem CID122190771
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC NameN-[4-(2-ethyl-6-methylbenzimidazol-1-yl)butyl]aniline
SMILESCCc1nc2ccc(C)cc2n1CCCCNc1ccccc1
InChIInChI=1S/C20H25N3/c1-3-20-22-18-12-11-16(2)15-19(18)23(20)14-8-7-13-21-17-9-5-4-6-10-17/h4-6,9-12,15,21H,3,7-8,13-14H2,1-2H3
InChIKeyBETKFLYJJHFARQ-UHFFFAOYSA-N
XLogP4.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethyl-6-methylbenzimidazol-1-yl)butyl]aniline?
The IUPAC name of N-[4-(2-ethyl-6-methylbenzimidazol-1-yl)butyl]aniline (CID 122190771) is N-[4-(2-ethyl-6-methylbenzimidazol-1-yl)butyl]aniline.
What is the SMILES notation for N-[4-(2-ethyl-6-methylbenzimidazol-1-yl)butyl]aniline?
The canonical SMILES for N-[4-(2-ethyl-6-methylbenzimidazol-1-yl)butyl]aniline is CCc1nc2ccc(C)cc2n1CCCCNc1ccccc1.
What is the InChIKey of N-[4-(2-ethyl-6-methylbenzimidazol-1-yl)butyl]aniline?
The InChIKey is BETKFLYJJHFARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3/c1-3-20-22-18-12-11-16(2)15-19(18)23(20)14-8-7-13-21-17-9-5-4-6-10-17/h4-6,9-12,15,21H,3,7-8,13-14H2,1-2H3.
What are the key properties of N-[4-(2-ethyl-6-methylbenzimidazol-1-yl)butyl]aniline?
N-[4-(2-ethyl-6-methylbenzimidazol-1-yl)butyl]aniline has a molecular weight of 307.44 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethyl-6-methylbenzimidazol-1-yl)butyl]aniline is sourced from PubChem (CID 122190771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).