[1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methanamine

C10H13ClN4 — CID 66409935

IUPAC[1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methanamine
SMILESCn1c(Cl)cnc1Cn1ccc(CN)c1
InChIInChI=1S/C10H13ClN4/c1-14-9(11)5-13-10(14)7-15-3-2-8(4-12)6-15/h2-3,5-6H,4,7,12H2,1H3
InChIKeyHUBFYCBWNXIJTF-UHFFFAOYSA-N
MW224.70 g/mol
LogP1.38
Rot. Bonds3

About [1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methanamine

[1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methanamine (PubChem CID 66409935) has the molecular formula C10H13ClN4 and a molecular weight of 224.70 g/mol. Its IUPAC name is [1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methanamine
PubChem CID66409935
Molecular FormulaC10H13ClN4
Molecular Weight224.70 g/mol
Exact Mass224.08
IUPAC Name[1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methanamine
SMILESCn1c(Cl)cnc1Cn1ccc(CN)c1
InChIInChI=1S/C10H13ClN4/c1-14-9(11)5-13-10(14)7-15-3-2-8(4-12)6-15/h2-3,5-6H,4,7,12H2,1H3
InChIKeyHUBFYCBWNXIJTF-UHFFFAOYSA-N
XLogP1.38
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.70
LogP ≤ 51.38
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]pyrrol-3-yl]methanamine?
The IUPAC name of [1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methanamine (CID 66409935) is [1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methanamine.
What is the SMILES notation for [1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methanamine?
The canonical SMILES for [1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methanamine is Cn1c(Cl)cnc1Cn1ccc(CN)c1.
What is the InChIKey of [1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methanamine?
The InChIKey is HUBFYCBWNXIJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4/c1-14-9(11)5-13-10(14)7-15-3-2-8(4-12)6-15/h2-3,5-6H,4,7,12H2,1H3.
What are the key properties of [1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methanamine?
[1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methanamine has a molecular weight of 224.70 g/mol, XLogP of 1.38, 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]pyrrol-3-yl]methanamine is sourced from PubChem (CID 66409935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).