N-[4-(5,6-difluorobenzimidazol-1-yl)butyl]cyclopropanamine

C14H17F2N3 — CID 62564114

IUPACN-[4-(5,6-difluorobenzimidazol-1-yl)butyl]cyclopropanamine
SMILESFc1cc2ncn(CCCCNC3CC3)c2cc1F
InChIInChI=1S/C14H17F2N3/c15-11-7-13-14(8-12(11)16)19(9-18-13)6-2-1-5-17-10-3-4-10/h7-10,17H,1-6H2
InChIKeyFOVBKMLORLPRAH-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.85
Rot. Bonds6

About N-[4-(5,6-difluorobenzimidazol-1-yl)butyl]cyclopropanamine

N-[4-(5,6-difluorobenzimidazol-1-yl)butyl]cyclopropanamine (PubChem CID 62564114) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[4-(5,6-difluorobenzimidazol-1-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(5,6-difluorobenzimidazol-1-yl)butyl]cyclopropanamine
PubChem CID62564114
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[4-(5,6-difluorobenzimidazol-1-yl)butyl]cyclopropanamine
SMILESFc1cc2ncn(CCCCNC3CC3)c2cc1F
InChIInChI=1S/C14H17F2N3/c15-11-7-13-14(8-12(11)16)19(9-18-13)6-2-1-5-17-10-3-4-10/h7-10,17H,1-6H2
InChIKeyFOVBKMLORLPRAH-UHFFFAOYSA-N
XLogP2.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.85
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 N-[4-(5,6-difluorobenzimidazol-1-yl)butyl]cyclopropanamine?
The IUPAC name of N-[4-(5,6-difluorobenzimidazol-1-yl)butyl]cyclopropanamine (CID 62564114) is N-[4-(5,6-difluorobenzimidazol-1-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[4-(5,6-difluorobenzimidazol-1-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[4-(5,6-difluorobenzimidazol-1-yl)butyl]cyclopropanamine is Fc1cc2ncn(CCCCNC3CC3)c2cc1F.
What is the InChIKey of N-[4-(5,6-difluorobenzimidazol-1-yl)butyl]cyclopropanamine?
The InChIKey is FOVBKMLORLPRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c15-11-7-13-14(8-12(11)16)19(9-18-13)6-2-1-5-17-10-3-4-10/h7-10,17H,1-6H2.
What are the key properties of N-[4-(5,6-difluorobenzimidazol-1-yl)butyl]cyclopropanamine?
N-[4-(5,6-difluorobenzimidazol-1-yl)butyl]cyclopropanamine has a molecular weight of 265.31 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5,6-difluorobenzimidazol-1-yl)butyl]cyclopropanamine is sourced from PubChem (CID 62564114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).