N-[2-(1-butyl-5-methylbenzimidazol-2-yl)ethyl]propan-1-amine

C17H27N3 — CID 82333142

IUPACN-[2-(1-butyl-5-methylbenzimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCCn1c(CCNCCC)nc2cc(C)ccc21
InChIInChI=1S/C17H27N3/c1-4-6-12-20-16-8-7-14(3)13-15(16)19-17(20)9-11-18-10-5-2/h7-8,13,18H,4-6,9-12H2,1-3H3
InChIKeyKKZBODGSAPTSDG-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.69
Rot. Bonds8

About N-[2-(1-butyl-5-methylbenzimidazol-2-yl)ethyl]propan-1-amine

N-[2-(1-butyl-5-methylbenzimidazol-2-yl)ethyl]propan-1-amine (PubChem CID 82333142) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[2-(1-butyl-5-methylbenzimidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1-butyl-5-methylbenzimidazol-2-yl)ethyl]propan-1-amine
PubChem CID82333142
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-[2-(1-butyl-5-methylbenzimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCCn1c(CCNCCC)nc2cc(C)ccc21
InChIInChI=1S/C17H27N3/c1-4-6-12-20-16-8-7-14(3)13-15(16)19-17(20)9-11-18-10-5-2/h7-8,13,18H,4-6,9-12H2,1-3H3
InChIKeyKKZBODGSAPTSDG-UHFFFAOYSA-N
XLogP3.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.69
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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Related Compounds

2-(5-methyl-1-pentylbenzimidazol-2-yl)ethanethiol
CID 82333345
N-[2-(5-ethyl-1-propylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82333668
N-ethyl-2-(5-ethyl-1-pentylbenzimidazol-2-yl)ethanamine
CID 82333656
2-(chloromethyl)-5-methyl-1-pentylbenzimidazole
CID 43660022
(1-hexyl-5-methylbenzimidazol-2-yl)methanol
CID 82333270
N-ethyl-2-(5-fluoro-1-hexylbenzimidazol-2-yl)ethanamine
CID 82332232
2-(2-chloroethyl)-1-(3-ethylsulfanylpropyl)-5-methylbenzimidazole
CID 114248558
2-(chloromethyl)-5-methyl-1-propylbenzimidazole
CID 43660232
N-[2-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)ethyl]propan-1-amine
CID 82335320
2-(2-chloroethyl)-1-ethyl-5-methylbenzimidazole
CID 43666424
3-[2-[[butyl(methyl)amino]methyl]-5-methylbenzimidazol-1-yl]propan-1-ol
CID 82311836
N-[2-(1-butylbenzimidazol-2-yl)ethyl]-2-(2,5-dimethylphenoxy)acetamide
CID 16978605

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-butyl-5-methylbenzimidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1-butyl-5-methylbenzimidazol-2-yl)ethyl]propan-1-amine (CID 82333142) is N-[2-(1-butyl-5-methylbenzimidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1-butyl-5-methylbenzimidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1-butyl-5-methylbenzimidazol-2-yl)ethyl]propan-1-amine is CCCCn1c(CCNCCC)nc2cc(C)ccc21.
What is the InChIKey of N-[2-(1-butyl-5-methylbenzimidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is KKZBODGSAPTSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-4-6-12-20-16-8-7-14(3)13-15(16)19-17(20)9-11-18-10-5-2/h7-8,13,18H,4-6,9-12H2,1-3H3.
What are the key properties of N-[2-(1-butyl-5-methylbenzimidazol-2-yl)ethyl]propan-1-amine?
N-[2-(1-butyl-5-methylbenzimidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-butyl-5-methylbenzimidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 82333142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).