1-(5-ethyl-1-propylbenzimidazol-2-yl)propan-1-amine

C15H23N3 — CID 82333614

IUPAC1-(5-ethyl-1-propylbenzimidazol-2-yl)propan-1-amine
SMILESCCCn1c(C(N)CC)nc2cc(CC)ccc21
InChIInChI=1S/C15H23N3/c1-4-9-18-14-8-7-11(5-2)10-13(14)17-15(18)12(16)6-3/h7-8,10,12H,4-6,9,16H2,1-3H3
InChIKeyAXLXWUFZOJLVRN-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.42
Rot. Bonds5

About 1-(5-ethyl-1-propylbenzimidazol-2-yl)propan-1-amine

1-(5-ethyl-1-propylbenzimidazol-2-yl)propan-1-amine (PubChem CID 82333614) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(5-ethyl-1-propylbenzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(5-ethyl-1-propylbenzimidazol-2-yl)propan-1-amine
PubChem CID82333614
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-(5-ethyl-1-propylbenzimidazol-2-yl)propan-1-amine
SMILESCCCn1c(C(N)CC)nc2cc(CC)ccc21
InChIInChI=1S/C15H23N3/c1-4-9-18-14-8-7-11(5-2)10-13(14)17-15(18)12(16)6-3/h7-8,10,12H,4-6,9,16H2,1-3H3
InChIKeyAXLXWUFZOJLVRN-UHFFFAOYSA-N
XLogP3.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-propylbenzimidazol-2-yl)propan-1-amine
CID 43470294
(2-heptan-4-yl-1-propylbenzimidazol-5-yl)methanamine
CID 82990601
2-[2-(1-aminopropyl)-5-chlorobenzimidazol-1-yl]ethanol
CID 82332591
1-[5-ethyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine
CID 82333541
1-(5-fluoro-1-propylbenzimidazol-2-yl)-2-phenylethanamine
CID 82331998
2-propan-2-yl-1-propylbenzimidazol-5-amine
CID 43830820
1-(1-propylbenzimidazol-2-yl)pentan-1-amine
CID 43470293
[2-(1-cyclopropylethyl)-1-propylbenzimidazol-5-yl]methanamine
CID 83149878
1-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]propan-1-amine
CID 82334045
1-(5-methyl-1-propylbenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine
CID 60784991
2-[2-(1-chloroethyl)-5-ethylbenzimidazol-1-yl]-N,N-dimethylethanamine
CID 82333823
N-[2-(5-ethyl-1-propylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82333668

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1-propylbenzimidazol-2-yl)propan-1-amine?
The IUPAC name of 1-(5-ethyl-1-propylbenzimidazol-2-yl)propan-1-amine (CID 82333614) is 1-(5-ethyl-1-propylbenzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 1-(5-ethyl-1-propylbenzimidazol-2-yl)propan-1-amine?
The canonical SMILES for 1-(5-ethyl-1-propylbenzimidazol-2-yl)propan-1-amine is CCCn1c(C(N)CC)nc2cc(CC)ccc21.
What is the InChIKey of 1-(5-ethyl-1-propylbenzimidazol-2-yl)propan-1-amine?
The InChIKey is AXLXWUFZOJLVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-4-9-18-14-8-7-11(5-2)10-13(14)17-15(18)12(16)6-3/h7-8,10,12H,4-6,9,16H2,1-3H3.
What are the key properties of 1-(5-ethyl-1-propylbenzimidazol-2-yl)propan-1-amine?
1-(5-ethyl-1-propylbenzimidazol-2-yl)propan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1-propylbenzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 82333614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).