[1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine

C10H17ClN4 — CID 81493206

IUPAC[1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine
SMILESCn1c(Cl)cnc1CN1CCCC1CN
InChIInChI=1S/C10H17ClN4/c1-14-9(11)6-13-10(14)7-15-4-2-3-8(15)5-12/h6,8H,2-5,7,12H2,1H3
InChIKeyZGNVTXLTPXFRCC-UHFFFAOYSA-N
MW228.73 g/mol
LogP1.00
Rot. Bonds3

About [1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine

[1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine (PubChem CID 81493206) has the molecular formula C10H17ClN4 and a molecular weight of 228.73 g/mol. Its IUPAC name is [1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine
PubChem CID81493206
Molecular FormulaC10H17ClN4
Molecular Weight228.73 g/mol
Exact Mass228.11
IUPAC Name[1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine
SMILESCn1c(Cl)cnc1CN1CCCC1CN
InChIInChI=1S/C10H17ClN4/c1-14-9(11)6-13-10(14)7-15-4-2-3-8(15)5-12/h6,8H,2-5,7,12H2,1H3
InChIKeyZGNVTXLTPXFRCC-UHFFFAOYSA-N
XLogP1.00
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine (CID 81493206) is [1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine is Cn1c(Cl)cnc1CN1CCCC1CN.
What is the InChIKey of [1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine?
The InChIKey is ZGNVTXLTPXFRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4/c1-14-9(11)6-13-10(14)7-15-4-2-3-8(15)5-12/h6,8H,2-5,7,12H2,1H3.
What are the key properties of [1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine?
[1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine has a molecular weight of 228.73 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 81493206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).