6-fluoro-1-pentylbenzimidazol-2-amine

C12H16FN3 — CID 62378390

IUPAC6-fluoro-1-pentylbenzimidazol-2-amine
SMILESCCCCCn1c(N)nc2ccc(F)cc21
InChIInChI=1S/C12H16FN3/c1-2-3-4-7-16-11-8-9(13)5-6-10(11)15-12(16)14/h5-6,8H,2-4,7H2,1H3,(H2,14,15)
InChIKeyBCZYOOKLTLUPBC-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.95
Rot. Bonds4

About 6-fluoro-1-pentylbenzimidazol-2-amine

6-fluoro-1-pentylbenzimidazol-2-amine (PubChem CID 62378390) has the molecular formula C12H16FN3 and a molecular weight of 221.28 g/mol. Its IUPAC name is 6-fluoro-1-pentylbenzimidazol-2-amine.

Molecular Properties

Compound Name6-fluoro-1-pentylbenzimidazol-2-amine
PubChem CID62378390
Molecular FormulaC12H16FN3
Molecular Weight221.28 g/mol
Exact Mass221.13
IUPAC Name6-fluoro-1-pentylbenzimidazol-2-amine
SMILESCCCCCn1c(N)nc2ccc(F)cc21
InChIInChI=1S/C12H16FN3/c1-2-3-4-7-16-11-8-9(13)5-6-10(11)15-12(16)14/h5-6,8H,2-4,7H2,1H3,(H2,14,15)
InChIKeyBCZYOOKLTLUPBC-UHFFFAOYSA-N
XLogP2.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.95
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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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-pentylbenzimidazol-2-amine?
The IUPAC name of 6-fluoro-1-pentylbenzimidazol-2-amine (CID 62378390) is 6-fluoro-1-pentylbenzimidazol-2-amine.
What is the SMILES notation for 6-fluoro-1-pentylbenzimidazol-2-amine?
The canonical SMILES for 6-fluoro-1-pentylbenzimidazol-2-amine is CCCCCn1c(N)nc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-1-pentylbenzimidazol-2-amine?
The InChIKey is BCZYOOKLTLUPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3/c1-2-3-4-7-16-11-8-9(13)5-6-10(11)15-12(16)14/h5-6,8H,2-4,7H2,1H3,(H2,14,15).
What are the key properties of 6-fluoro-1-pentylbenzimidazol-2-amine?
6-fluoro-1-pentylbenzimidazol-2-amine has a molecular weight of 221.28 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-pentylbenzimidazol-2-amine is sourced from PubChem (CID 62378390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).