N-(dicyclopropylmethyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanamine

C16H19F2N3 — CID 62564119

IUPACN-(dicyclopropylmethyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanamine
SMILESFc1cc2ncn(CCNC(C3CC3)C3CC3)c2cc1F
InChIInChI=1S/C16H19F2N3/c17-12-7-14-15(8-13(12)18)21(9-20-14)6-5-19-16(10-1-2-10)11-3-4-11/h7-11,16,19H,1-6H2
InChIKeyFPTQHEWSGZUVAU-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.09
Rot. Bonds6

About N-(dicyclopropylmethyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanamine

N-(dicyclopropylmethyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanamine (PubChem CID 62564119) has the molecular formula C16H19F2N3 and a molecular weight of 291.34 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanamine
PubChem CID62564119
Molecular FormulaC16H19F2N3
Molecular Weight291.34 g/mol
Exact Mass291.15
IUPAC NameN-(dicyclopropylmethyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanamine
SMILESFc1cc2ncn(CCNC(C3CC3)C3CC3)c2cc1F
InChIInChI=1S/C16H19F2N3/c17-12-7-14-15(8-13(12)18)21(9-20-14)6-5-19-16(10-1-2-10)11-3-4-11/h7-11,16,19H,1-6H2
InChIKeyFPTQHEWSGZUVAU-UHFFFAOYSA-N
XLogP3.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanamine?
The IUPAC name of N-(dicyclopropylmethyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanamine (CID 62564119) is N-(dicyclopropylmethyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanamine.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanamine?
The canonical SMILES for N-(dicyclopropylmethyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanamine is Fc1cc2ncn(CCNC(C3CC3)C3CC3)c2cc1F.
What is the InChIKey of N-(dicyclopropylmethyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanamine?
The InChIKey is FPTQHEWSGZUVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3/c17-12-7-14-15(8-13(12)18)21(9-20-14)6-5-19-16(10-1-2-10)11-3-4-11/h7-11,16,19H,1-6H2.
What are the key properties of N-(dicyclopropylmethyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanamine?
N-(dicyclopropylmethyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanamine has a molecular weight of 291.34 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanamine is sourced from PubChem (CID 62564119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).