(5-ethyl-1-heptylbenzimidazol-2-yl)methanamine

C17H27N3 — CID 82333503

IUPAC(5-ethyl-1-heptylbenzimidazol-2-yl)methanamine
SMILESCCCCCCCn1c(CN)nc2cc(CC)ccc21
InChIInChI=1S/C17H27N3/c1-3-5-6-7-8-11-20-16-10-9-14(4-2)12-15(16)19-17(20)13-18/h9-10,12H,3-8,11,13,18H2,1-2H3
InChIKeyHEQWPEHGYCLYOR-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.03
Rot. Bonds8

About (5-ethyl-1-heptylbenzimidazol-2-yl)methanamine

(5-ethyl-1-heptylbenzimidazol-2-yl)methanamine (PubChem CID 82333503) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is (5-ethyl-1-heptylbenzimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-ethyl-1-heptylbenzimidazol-2-yl)methanamine
PubChem CID82333503
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name(5-ethyl-1-heptylbenzimidazol-2-yl)methanamine
SMILESCCCCCCCn1c(CN)nc2cc(CC)ccc21
InChIInChI=1S/C17H27N3/c1-3-5-6-7-8-11-20-16-10-9-14(4-2)12-15(16)19-17(20)13-18/h9-10,12H,3-8,11,13,18H2,1-2H3
InChIKeyHEQWPEHGYCLYOR-UHFFFAOYSA-N
XLogP4.03
TPSA43.84 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 ≤ 54.03
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

N-ethyl-2-(5-ethyl-1-pentylbenzimidazol-2-yl)ethanamine
CID 82333656
3-[2-[(dimethylamino)methyl]-5-ethylbenzimidazol-1-yl]propan-1-amine
CID 82310788
(1-butyl-5-methoxybenzimidazol-2-yl)methanamine
CID 82334322
3-(5-chloro-1-hexylbenzimidazol-2-yl)propan-1-amine
CID 82332507
[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine
CID 82333492
2-(1,5-diethylbenzimidazol-2-yl)ethanamine
CID 82333476
(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
CID 82333500
5-chloro-2-(chloromethyl)-1-octylbenzimidazole
CID 115569202
(1-hexyl-5-methylbenzimidazol-2-yl)methanol
CID 82333270
2-ethyl-5-isocyano-1-pentylbenzimidazole
CID 20814039
2-(5-ethoxy-1-hexylbenzimidazol-2-yl)ethanamine
CID 82334679
N-[2-(5-ethyl-1-propylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82333668

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1-heptylbenzimidazol-2-yl)methanamine?
The IUPAC name of (5-ethyl-1-heptylbenzimidazol-2-yl)methanamine (CID 82333503) is (5-ethyl-1-heptylbenzimidazol-2-yl)methanamine.
What is the SMILES notation for (5-ethyl-1-heptylbenzimidazol-2-yl)methanamine?
The canonical SMILES for (5-ethyl-1-heptylbenzimidazol-2-yl)methanamine is CCCCCCCn1c(CN)nc2cc(CC)ccc21.
What is the InChIKey of (5-ethyl-1-heptylbenzimidazol-2-yl)methanamine?
The InChIKey is HEQWPEHGYCLYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-3-5-6-7-8-11-20-16-10-9-14(4-2)12-15(16)19-17(20)13-18/h9-10,12H,3-8,11,13,18H2,1-2H3.
What are the key properties of (5-ethyl-1-heptylbenzimidazol-2-yl)methanamine?
(5-ethyl-1-heptylbenzimidazol-2-yl)methanamine has a molecular weight of 273.42 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1-heptylbenzimidazol-2-yl)methanamine is sourced from PubChem (CID 82333503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).