N-[2-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine

C16H25N3O — CID 82334457

IUPACN-[2-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNCCc1nc2cc(OC)ccc2n1C(C)C
InChIInChI=1S/C16H25N3O/c1-5-9-17-10-8-16-18-14-11-13(20-4)6-7-15(14)19(16)12(2)3/h6-7,11-12,17H,5,8-10H2,1-4H3
InChIKeyGPVJUBKPIWMLAQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.17
Rot. Bonds7

About N-[2-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine

N-[2-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine (PubChem CID 82334457) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[2-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine
PubChem CID82334457
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[2-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNCCc1nc2cc(OC)ccc2n1C(C)C
InChIInChI=1S/C16H25N3O/c1-5-9-17-10-8-16-18-14-11-13(20-4)6-7-15(14)19(16)12(2)3/h6-7,11-12,17H,5,8-10H2,1-4H3
InChIKeyGPVJUBKPIWMLAQ-UHFFFAOYSA-N
XLogP3.17
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82332245
5-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)pentan-2-amine
CID 82847019
N-[2-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)ethyl]propan-1-amine
CID 82335320
N-ethyl-2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 62327256
N-[2-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82334086
2-methyl-N-[2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82333157
N-[2-(5-propan-2-yloxy-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82335322
3-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol
CID 82334838
(1S)-1-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 83858310
2-(chloromethyl)-1-propan-2-yl-5-propan-2-yloxybenzimidazole
CID 82335377
2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 82333475
2-methyl-N-[2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 60835528

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine (CID 82334457) is N-[2-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine is CCCNCCc1nc2cc(OC)ccc2n1C(C)C.
What is the InChIKey of N-[2-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is GPVJUBKPIWMLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-5-9-17-10-8-16-18-14-11-13(20-4)6-7-15(14)19(16)12(2)3/h6-7,11-12,17H,5,8-10H2,1-4H3.
What are the key properties of N-[2-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine?
N-[2-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 275.40 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 82334457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).