[1-(6-fluoro-1-propylbenzimidazol-2-yl)cyclopropyl]methanamine

C14H18FN3 — CID 115450574

IUPAC[1-(6-fluoro-1-propylbenzimidazol-2-yl)cyclopropyl]methanamine
SMILESCCCn1c(C2(CN)CC2)nc2ccc(F)cc21
InChIInChI=1S/C14H18FN3/c1-2-7-18-12-8-10(15)3-4-11(12)17-13(18)14(9-16)5-6-14/h3-4,8H,2,5-7,9,16H2,1H3
InChIKeyGTLHFQYYWVTCKV-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.58
Rot. Bonds4

About [1-(6-fluoro-1-propylbenzimidazol-2-yl)cyclopropyl]methanamine

[1-(6-fluoro-1-propylbenzimidazol-2-yl)cyclopropyl]methanamine (PubChem CID 115450574) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is [1-(6-fluoro-1-propylbenzimidazol-2-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(6-fluoro-1-propylbenzimidazol-2-yl)cyclopropyl]methanamine
PubChem CID115450574
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name[1-(6-fluoro-1-propylbenzimidazol-2-yl)cyclopropyl]methanamine
SMILESCCCn1c(C2(CN)CC2)nc2ccc(F)cc21
InChIInChI=1S/C14H18FN3/c1-2-7-18-12-8-10(15)3-4-11(12)17-13(18)14(9-16)5-6-14/h3-4,8H,2,5-7,9,16H2,1H3
InChIKeyGTLHFQYYWVTCKV-UHFFFAOYSA-N
XLogP2.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-fluoro-1-propylbenzimidazol-2-yl)cycloheptan-1-amine
CID 62378122
[1-(6-fluoro-1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 115436253
[1-(1-propylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 115436209
[1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 115436256
2-(4-ethylpiperidin-4-yl)-5-fluoro-1-propylbenzimidazole
CID 63125249
[1-(1-propylimidazo[4,5-c]pyridin-2-yl)cyclobutyl]methanamine
CID 115445776
2-(chloromethyl)-6-fluoro-1-propylbenzimidazole
CID 62378241
2-(6-fluoro-1-propylbenzimidazol-2-yl)butan-1-amine
CID 65220782
1-(1-ethyl-6-fluorobenzimidazol-2-yl)cycloheptan-1-amine
CID 62377574
3-(6-fluoro-1-propylbenzimidazol-2-yl)butan-1-amine
CID 80539721
[4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)oxan-4-yl]methanamine
CID 115438879
[1-[1-(2-methoxyethyl)benzimidazol-2-yl]cyclopropyl]methanamine
CID 115450576

Frequently Asked Questions

What is the IUPAC name of [1-(6-fluoro-1-propylbenzimidazol-2-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(6-fluoro-1-propylbenzimidazol-2-yl)cyclopropyl]methanamine (CID 115450574) is [1-(6-fluoro-1-propylbenzimidazol-2-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(6-fluoro-1-propylbenzimidazol-2-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(6-fluoro-1-propylbenzimidazol-2-yl)cyclopropyl]methanamine is CCCn1c(C2(CN)CC2)nc2ccc(F)cc21.
What is the InChIKey of [1-(6-fluoro-1-propylbenzimidazol-2-yl)cyclopropyl]methanamine?
The InChIKey is GTLHFQYYWVTCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-2-7-18-12-8-10(15)3-4-11(12)17-13(18)14(9-16)5-6-14/h3-4,8H,2,5-7,9,16H2,1H3.
What are the key properties of [1-(6-fluoro-1-propylbenzimidazol-2-yl)cyclopropyl]methanamine?
[1-(6-fluoro-1-propylbenzimidazol-2-yl)cyclopropyl]methanamine has a molecular weight of 247.32 g/mol, XLogP of 2.58, 4 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)cyclopropyl]methanamine is sourced from PubChem (CID 115450574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).