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

C15H22FN3 — CID 82332245

IUPACN-[2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNCCc1nc2cc(F)ccc2n1C(C)C
InChIInChI=1S/C15H22FN3/c1-4-8-17-9-7-15-18-13-10-12(16)5-6-14(13)19(15)11(2)3/h5-6,10-11,17H,4,7-9H2,1-3H3
InChIKeyGDXXBSMQCSARBA-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.30
Rot. Bonds6

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

N-[2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine (PubChem CID 82332245) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine
PubChem CID82332245
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC NameN-[2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNCCc1nc2cc(F)ccc2n1C(C)C
InChIInChI=1S/C15H22FN3/c1-4-8-17-9-7-15-18-13-10-12(16)5-6-14(13)19(15)11(2)3/h5-6,10-11,17H,4,7-9H2,1-3H3
InChIKeyGDXXBSMQCSARBA-UHFFFAOYSA-N
XLogP3.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.30
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-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 62327256
N-[2-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82334457
N-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
CID 82332259
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
1-butan-2-yl-2-(2-chloroethyl)-5-fluorobenzimidazole
CID 43666323
1,1,1-trifluoro-3-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-ol
CID 79872459
N-ethyl-2-(5-fluoro-1-hexylbenzimidazol-2-yl)ethanamine
CID 82332232
2-(2-chloroethyl)-5-fluoro-1-octan-2-ylbenzimidazole
CID 63546138
2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 82333475
1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 54920104
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-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine (CID 82332245) is N-[2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine is CCCNCCc1nc2cc(F)ccc2n1C(C)C.
What is the InChIKey of N-[2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is GDXXBSMQCSARBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3/c1-4-8-17-9-7-15-18-13-10-12(16)5-6-14(13)19(15)11(2)3/h5-6,10-11,17H,4,7-9H2,1-3H3.
What are the key properties of N-[2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine?
N-[2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 263.36 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 82332245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).