[1-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine

C11H12ClN3S — CID 116882099

IUPAC[1-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
SMILESNCC1(c2ncc(-c3ccc(Cl)s3)[nH]2)CC1
InChIInChI=1S/C11H12ClN3S/c12-9-2-1-8(16-9)7-5-14-10(15-7)11(6-13)3-4-11/h1-2,5H,3-4,6,13H2,(H,14,15)
InChIKeyHWPNYVBKSUCKPF-UHFFFAOYSA-N
MW253.76 g/mol
LogP2.78
Rot. Bonds3

About [1-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine

[1-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine (PubChem CID 116882099) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is [1-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
PubChem CID116882099
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name[1-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
SMILESNCC1(c2ncc(-c3ccc(Cl)s3)[nH]2)CC1
InChIInChI=1S/C11H12ClN3S/c12-9-2-1-8(16-9)7-5-14-10(15-7)11(6-13)3-4-11/h1-2,5H,3-4,6,13H2,(H,14,15)
InChIKeyHWPNYVBKSUCKPF-UHFFFAOYSA-N
XLogP2.78
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.76
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine?
The IUPAC name of [1-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine (CID 116882099) is [1-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine?
The canonical SMILES for [1-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine is NCC1(c2ncc(-c3ccc(Cl)s3)[nH]2)CC1.
What is the InChIKey of [1-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine?
The InChIKey is HWPNYVBKSUCKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c12-9-2-1-8(16-9)7-5-14-10(15-7)11(6-13)3-4-11/h1-2,5H,3-4,6,13H2,(H,14,15).
What are the key properties of [1-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine?
[1-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine has a molecular weight of 253.76 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine is sourced from PubChem (CID 116882099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).