N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine

C14H18FN3 — CID 62378276

IUPACN-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine
SMILESCCCn1c(CNC2CC2)nc2ccc(F)cc21
InChIInChI=1S/C14H18FN3/c1-2-7-18-13-8-10(15)3-6-12(13)17-14(18)9-16-11-4-5-11/h3,6,8,11,16H,2,4-5,7,9H2,1H3
InChIKeyUBBVASRYZOEFDB-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.84
Rot. Bonds5

About N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine

N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine (PubChem CID 62378276) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine
PubChem CID62378276
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC NameN-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine
SMILESCCCn1c(CNC2CC2)nc2ccc(F)cc21
InChIInChI=1S/C14H18FN3/c1-2-7-18-13-8-10(15)3-6-12(13)17-14(18)9-16-11-4-5-11/h3,6,8,11,16H,2,4-5,7,9H2,1H3
InChIKeyUBBVASRYZOEFDB-UHFFFAOYSA-N
XLogP2.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine (CID 62378276) is N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine is CCCn1c(CNC2CC2)nc2ccc(F)cc21.
What is the InChIKey of N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine?
The InChIKey is UBBVASRYZOEFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-2-7-18-13-8-10(15)3-6-12(13)17-14(18)9-16-11-4-5-11/h3,6,8,11,16H,2,4-5,7,9H2,1H3.
What are the key properties of N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine?
N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine has a molecular weight of 247.32 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 62378276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).