N-(2,2-dicyclopropylethyl)-1-phenylimidazol-2-amine

C17H21N3 — CID 106575715

IUPACN-(2,2-dicyclopropylethyl)-1-phenylimidazol-2-amine
SMILESc1ccc(-n2ccnc2NCC(C2CC2)C2CC2)cc1
InChIInChI=1S/C17H21N3/c1-2-4-15(5-3-1)20-11-10-18-17(20)19-12-16(13-6-7-13)14-8-9-14/h1-5,10-11,13-14,16H,6-9,12H2,(H,18,19)
InChIKeyFATAVIBGUMSUAR-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.72
Rot. Bonds6

About N-(2,2-dicyclopropylethyl)-1-phenylimidazol-2-amine

N-(2,2-dicyclopropylethyl)-1-phenylimidazol-2-amine (PubChem CID 106575715) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-(2,2-dicyclopropylethyl)-1-phenylimidazol-2-amine.

Molecular Properties

Compound NameN-(2,2-dicyclopropylethyl)-1-phenylimidazol-2-amine
PubChem CID106575715
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC NameN-(2,2-dicyclopropylethyl)-1-phenylimidazol-2-amine
SMILESc1ccc(-n2ccnc2NCC(C2CC2)C2CC2)cc1
InChIInChI=1S/C17H21N3/c1-2-4-15(5-3-1)20-11-10-18-17(20)19-12-16(13-6-7-13)14-8-9-14/h1-5,10-11,13-14,16H,6-9,12H2,(H,18,19)
InChIKeyFATAVIBGUMSUAR-UHFFFAOYSA-N
XLogP3.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dicyclopropylethyl)-1-phenylimidazol-2-amine?
The IUPAC name of N-(2,2-dicyclopropylethyl)-1-phenylimidazol-2-amine (CID 106575715) is N-(2,2-dicyclopropylethyl)-1-phenylimidazol-2-amine.
What is the SMILES notation for N-(2,2-dicyclopropylethyl)-1-phenylimidazol-2-amine?
The canonical SMILES for N-(2,2-dicyclopropylethyl)-1-phenylimidazol-2-amine is c1ccc(-n2ccnc2NCC(C2CC2)C2CC2)cc1.
What is the InChIKey of N-(2,2-dicyclopropylethyl)-1-phenylimidazol-2-amine?
The InChIKey is FATAVIBGUMSUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-2-4-15(5-3-1)20-11-10-18-17(20)19-12-16(13-6-7-13)14-8-9-14/h1-5,10-11,13-14,16H,6-9,12H2,(H,18,19).
What are the key properties of N-(2,2-dicyclopropylethyl)-1-phenylimidazol-2-amine?
N-(2,2-dicyclopropylethyl)-1-phenylimidazol-2-amine has a molecular weight of 267.38 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dicyclopropylethyl)-1-phenylimidazol-2-amine is sourced from PubChem (CID 106575715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).