1-(5-propan-2-yloxy-1-propylbenzimidazol-2-yl)ethanamine

C15H23N3O — CID 82335259

IUPAC1-(5-propan-2-yloxy-1-propylbenzimidazol-2-yl)ethanamine
SMILESCCCn1c(C(C)N)nc2cc(OC(C)C)ccc21
InChIInChI=1S/C15H23N3O/c1-5-8-18-14-7-6-12(19-10(2)3)9-13(14)17-15(18)11(4)16/h6-7,9-11H,5,8,16H2,1-4H3
InChIKeyUIDZESOANXCTTK-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.25
Rot. Bonds5

About 1-(5-propan-2-yloxy-1-propylbenzimidazol-2-yl)ethanamine

1-(5-propan-2-yloxy-1-propylbenzimidazol-2-yl)ethanamine (PubChem CID 82335259) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(5-propan-2-yloxy-1-propylbenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-propan-2-yloxy-1-propylbenzimidazol-2-yl)ethanamine
PubChem CID82335259
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(5-propan-2-yloxy-1-propylbenzimidazol-2-yl)ethanamine
SMILESCCCn1c(C(C)N)nc2cc(OC(C)C)ccc21
InChIInChI=1S/C15H23N3O/c1-5-8-18-14-7-6-12(19-10(2)3)9-13(14)17-15(18)11(4)16/h6-7,9-11H,5,8,16H2,1-4H3
InChIKeyUIDZESOANXCTTK-UHFFFAOYSA-N
XLogP3.25
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-propoxy-1-propylbenzimidazol-2-yl)ethanamine
CID 82335031
1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine
CID 82335282
(5-propan-2-yloxy-1-propylbenzimidazol-2-yl)methanethiol
CID 82335413
1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)pentan-1-amine
CID 82335299
3-methyl-1-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine
CID 82335287
1-(1-butyl-5-fluorobenzimidazol-2-yl)ethanamine
CID 82332092
(1-butyl-5-propan-2-yloxybenzimidazol-2-yl)methanethiol
CID 82335414
2-propan-2-yl-1-propylbenzimidazol-5-amine
CID 43830820
1-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine
CID 82334728
1-(1-nonylbenzimidazol-2-yl)ethanamine
CID 82024716
(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)methanethiol
CID 82335418
1-(5-ethyl-1-propylbenzimidazol-2-yl)propan-1-amine
CID 82333614

Frequently Asked Questions

What is the IUPAC name of 1-(5-propan-2-yloxy-1-propylbenzimidazol-2-yl)ethanamine?
The IUPAC name of 1-(5-propan-2-yloxy-1-propylbenzimidazol-2-yl)ethanamine (CID 82335259) is 1-(5-propan-2-yloxy-1-propylbenzimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(5-propan-2-yloxy-1-propylbenzimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(5-propan-2-yloxy-1-propylbenzimidazol-2-yl)ethanamine is CCCn1c(C(C)N)nc2cc(OC(C)C)ccc21.
What is the InChIKey of 1-(5-propan-2-yloxy-1-propylbenzimidazol-2-yl)ethanamine?
The InChIKey is UIDZESOANXCTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-5-8-18-14-7-6-12(19-10(2)3)9-13(14)17-15(18)11(4)16/h6-7,9-11H,5,8,16H2,1-4H3.
What are the key properties of 1-(5-propan-2-yloxy-1-propylbenzimidazol-2-yl)ethanamine?
1-(5-propan-2-yloxy-1-propylbenzimidazol-2-yl)ethanamine has a molecular weight of 261.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propan-2-yloxy-1-propylbenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 82335259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).