1-[[2-(1H-imidazol-2-yl)phenyl]methyl]cyclopropan-1-amine

C13H15N3 — CID 117304418

IUPAC1-[[2-(1H-imidazol-2-yl)phenyl]methyl]cyclopropan-1-amine
SMILESNC1(Cc2ccccc2-c2ncc[nH]2)CC1
InChIInChI=1S/C13H15N3/c14-13(5-6-13)9-10-3-1-2-4-11(10)12-15-7-8-16-12/h1-4,7-8H,5-6,9,14H2,(H,15,16)
InChIKeyRQZUPKOSUXRZIU-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.11
Rot. Bonds3

About 1-[[2-(1H-imidazol-2-yl)phenyl]methyl]cyclopropan-1-amine

1-[[2-(1H-imidazol-2-yl)phenyl]methyl]cyclopropan-1-amine (PubChem CID 117304418) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-[[2-(1H-imidazol-2-yl)phenyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[2-(1H-imidazol-2-yl)phenyl]methyl]cyclopropan-1-amine
PubChem CID117304418
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name1-[[2-(1H-imidazol-2-yl)phenyl]methyl]cyclopropan-1-amine
SMILESNC1(Cc2ccccc2-c2ncc[nH]2)CC1
InChIInChI=1S/C13H15N3/c14-13(5-6-13)9-10-3-1-2-4-11(10)12-15-7-8-16-12/h1-4,7-8H,5-6,9,14H2,(H,15,16)
InChIKeyRQZUPKOSUXRZIU-UHFFFAOYSA-N
XLogP2.11
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1H-imidazol-2-yl)phenyl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[2-(1H-imidazol-2-yl)phenyl]methyl]cyclopropan-1-amine (CID 117304418) is 1-[[2-(1H-imidazol-2-yl)phenyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[2-(1H-imidazol-2-yl)phenyl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[2-(1H-imidazol-2-yl)phenyl]methyl]cyclopropan-1-amine is NC1(Cc2ccccc2-c2ncc[nH]2)CC1.
What is the InChIKey of 1-[[2-(1H-imidazol-2-yl)phenyl]methyl]cyclopropan-1-amine?
The InChIKey is RQZUPKOSUXRZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c14-13(5-6-13)9-10-3-1-2-4-11(10)12-15-7-8-16-12/h1-4,7-8H,5-6,9,14H2,(H,15,16).
What are the key properties of 1-[[2-(1H-imidazol-2-yl)phenyl]methyl]cyclopropan-1-amine?
1-[[2-(1H-imidazol-2-yl)phenyl]methyl]cyclopropan-1-amine has a molecular weight of 213.28 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1H-imidazol-2-yl)phenyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 117304418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).