1-(6-fluoro-1-propylbenzimidazol-2-yl)cycloheptan-1-amine

C17H24FN3 — CID 62378122

IUPAC1-(6-fluoro-1-propylbenzimidazol-2-yl)cycloheptan-1-amine
SMILESCCCn1c(C2(N)CCCCCC2)nc2ccc(F)cc21
InChIInChI=1S/C17H24FN3/c1-2-11-21-15-12-13(18)7-8-14(15)20-16(21)17(19)9-5-3-4-6-10-17/h7-8,12H,2-6,9-11,19H2,1H3
InChIKeyCMBMENZDJLSRBA-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.09
Rot. Bonds3

About 1-(6-fluoro-1-propylbenzimidazol-2-yl)cycloheptan-1-amine

1-(6-fluoro-1-propylbenzimidazol-2-yl)cycloheptan-1-amine (PubChem CID 62378122) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-(6-fluoro-1-propylbenzimidazol-2-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(6-fluoro-1-propylbenzimidazol-2-yl)cycloheptan-1-amine
PubChem CID62378122
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC Name1-(6-fluoro-1-propylbenzimidazol-2-yl)cycloheptan-1-amine
SMILESCCCn1c(C2(N)CCCCCC2)nc2ccc(F)cc21
InChIInChI=1S/C17H24FN3/c1-2-11-21-15-12-13(18)7-8-14(15)20-16(21)17(19)9-5-3-4-6-10-17/h7-8,12H,2-6,9-11,19H2,1H3
InChIKeyCMBMENZDJLSRBA-UHFFFAOYSA-N
XLogP4.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-propylbenzimidazol-2-yl)cycloheptan-1-amine?
The IUPAC name of 1-(6-fluoro-1-propylbenzimidazol-2-yl)cycloheptan-1-amine (CID 62378122) is 1-(6-fluoro-1-propylbenzimidazol-2-yl)cycloheptan-1-amine.
What is the SMILES notation for 1-(6-fluoro-1-propylbenzimidazol-2-yl)cycloheptan-1-amine?
The canonical SMILES for 1-(6-fluoro-1-propylbenzimidazol-2-yl)cycloheptan-1-amine is CCCn1c(C2(N)CCCCCC2)nc2ccc(F)cc21.
What is the InChIKey of 1-(6-fluoro-1-propylbenzimidazol-2-yl)cycloheptan-1-amine?
The InChIKey is CMBMENZDJLSRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-2-11-21-15-12-13(18)7-8-14(15)20-16(21)17(19)9-5-3-4-6-10-17/h7-8,12H,2-6,9-11,19H2,1H3.
What are the key properties of 1-(6-fluoro-1-propylbenzimidazol-2-yl)cycloheptan-1-amine?
1-(6-fluoro-1-propylbenzimidazol-2-yl)cycloheptan-1-amine has a molecular weight of 289.40 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-propylbenzimidazol-2-yl)cycloheptan-1-amine is sourced from PubChem (CID 62378122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).