2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine

C14H18FN3 — CID 115427820

IUPAC2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)c1nc2ccc(F)cc2n1C1CC1
InChIInChI=1S/C14H18FN3/c1-14(2,8-16)13-17-11-6-3-9(15)7-12(11)18(13)10-4-5-10/h3,6-7,10H,4-5,8,16H2,1-2H3
InChIKeyWPKUTCLEJOQEIZ-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.75
Rot. Bonds3

About 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine

2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine (PubChem CID 115427820) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine
PubChem CID115427820
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)c1nc2ccc(F)cc2n1C1CC1
InChIInChI=1S/C14H18FN3/c1-14(2,8-16)13-17-11-6-3-9(15)7-12(11)18(13)10-4-5-10/h3,6-7,10H,4-5,8,16H2,1-2H3
InChIKeyWPKUTCLEJOQEIZ-UHFFFAOYSA-N
XLogP2.75
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-amine
CID 115427812
2-(6-amino-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-ol
CID 114202899
[4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)oxan-4-yl]methanamine
CID 115438879
2-bromo-1-cyclopropyl-6-fluorobenzimidazole
CID 83844057
2-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
CID 79799089
6-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)hexan-1-amine
CID 62378467
2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-2-methylpropan-1-amine
CID 83858282
2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine
CID 113307952
1-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pentan-1-amine
CID 62376750
2-(chloromethyl)-1-cyclobutyl-6-fluorobenzimidazole
CID 62414806
2-(chloromethyl)-1-cyclopentyl-6-fluorobenzimidazole
CID 62377893
2-[4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine
CID 66380200

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine (CID 115427820) is 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine is CC(C)(CN)c1nc2ccc(F)cc2n1C1CC1.
What is the InChIKey of 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine?
The InChIKey is WPKUTCLEJOQEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-14(2,8-16)13-17-11-6-3-9(15)7-12(11)18(13)10-4-5-10/h3,6-7,10H,4-5,8,16H2,1-2H3.
What are the key properties of 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine?
2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine has a molecular weight of 247.32 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 115427820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).