1-[4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-yl]cyclopropan-1-amine

C10H16FN3 — CID 84774515

IUPAC1-[4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-yl]cyclopropan-1-amine
SMILESCc1[nH]c(C2(N)CC2)nc1C(C)(C)F
InChIInChI=1S/C10H16FN3/c1-6-7(9(2,3)11)14-8(13-6)10(12)4-5-10/h4-5,12H2,1-3H3,(H,13,14)
InChIKeyQRBFLQQEKNBDBZ-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.87
Rot. Bonds2

About 1-[4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-yl]cyclopropan-1-amine

1-[4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-yl]cyclopropan-1-amine (PubChem CID 84774515) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is 1-[4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-yl]cyclopropan-1-amine
PubChem CID84774515
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC Name1-[4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-yl]cyclopropan-1-amine
SMILESCc1[nH]c(C2(N)CC2)nc1C(C)(C)F
InChIInChI=1S/C10H16FN3/c1-6-7(9(2,3)11)14-8(13-6)10(12)4-5-10/h4-5,12H2,1-3H3,(H,13,14)
InChIKeyQRBFLQQEKNBDBZ-UHFFFAOYSA-N
XLogP1.87
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-yl]cyclopropan-1-amine?
The IUPAC name of 1-[4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-yl]cyclopropan-1-amine (CID 84774515) is 1-[4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-yl]cyclopropan-1-amine is Cc1[nH]c(C2(N)CC2)nc1C(C)(C)F.
What is the InChIKey of 1-[4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-yl]cyclopropan-1-amine?
The InChIKey is QRBFLQQEKNBDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3/c1-6-7(9(2,3)11)14-8(13-6)10(12)4-5-10/h4-5,12H2,1-3H3,(H,13,14).
What are the key properties of 1-[4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-yl]cyclopropan-1-amine?
1-[4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-yl]cyclopropan-1-amine has a molecular weight of 197.26 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 84774515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).