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

C12H21ClN4 — CID 114239520

IUPAC[2-(5-chloro-1-methylimidazol-2-yl)-1-propylpyrrolidin-3-yl]methanamine
SMILESCCCN1CCC(CN)C1c1ncc(Cl)n1C
InChIInChI=1S/C12H21ClN4/c1-3-5-17-6-4-9(7-14)11(17)12-15-8-10(13)16(12)2/h8-9,11H,3-7,14H2,1-2H3
InChIKeyQIYZLQDCRSHGCQ-UHFFFAOYSA-N
MW256.78 g/mol
LogP1.81
Rot. Bonds4

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

[2-(5-chloro-1-methylimidazol-2-yl)-1-propylpyrrolidin-3-yl]methanamine (PubChem CID 114239520) has the molecular formula C12H21ClN4 and a molecular weight of 256.78 g/mol. Its IUPAC name is [2-(5-chloro-1-methylimidazol-2-yl)-1-propylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(5-chloro-1-methylimidazol-2-yl)-1-propylpyrrolidin-3-yl]methanamine
PubChem CID114239520
Molecular FormulaC12H21ClN4
Molecular Weight256.78 g/mol
Exact Mass256.15
IUPAC Name[2-(5-chloro-1-methylimidazol-2-yl)-1-propylpyrrolidin-3-yl]methanamine
SMILESCCCN1CCC(CN)C1c1ncc(Cl)n1C
InChIInChI=1S/C12H21ClN4/c1-3-5-17-6-4-9(7-14)11(17)12-15-8-10(13)16(12)2/h8-9,11H,3-7,14H2,1-2H3
InChIKeyQIYZLQDCRSHGCQ-UHFFFAOYSA-N
XLogP1.81
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-ethylpyrazol-4-yl)-1-propylpyrrolidin-3-yl]methanamine
CID 103570733
[2-(4-cyclopropylphenyl)-1-propylpyrrolidin-3-yl]methanamine
CID 79978121
4-(5-chloro-1-methylimidazol-2-yl)-1-ethylpiperidine
CID 117259171
[2-(4-bromo-3-methylphenyl)-1-propylpyrrolidin-3-yl]methanamine
CID 66479694
[2-(4-phenylmethoxyphenyl)-1-propylpyrrolidin-3-yl]methanamine
CID 113235018
5-chloro-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazole
CID 117259141
[1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 81493206
[2-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine
CID 79584047
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-propylpiperidin-4-amine
CID 60695637
[2-(2-chloro-6-methoxyphenyl)-1-propylazepan-3-yl]methanamine
CID 104818727
(2S,3S)-1-propyl-2-pyridin-2-ylpyrrolidin-3-amine
CID 178196697
4-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpiperidine
CID 117259172

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-1-methylimidazol-2-yl)-1-propylpyrrolidin-3-yl]methanamine?
The IUPAC name of [2-(5-chloro-1-methylimidazol-2-yl)-1-propylpyrrolidin-3-yl]methanamine (CID 114239520) is [2-(5-chloro-1-methylimidazol-2-yl)-1-propylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [2-(5-chloro-1-methylimidazol-2-yl)-1-propylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [2-(5-chloro-1-methylimidazol-2-yl)-1-propylpyrrolidin-3-yl]methanamine is CCCN1CCC(CN)C1c1ncc(Cl)n1C.
What is the InChIKey of [2-(5-chloro-1-methylimidazol-2-yl)-1-propylpyrrolidin-3-yl]methanamine?
The InChIKey is QIYZLQDCRSHGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4/c1-3-5-17-6-4-9(7-14)11(17)12-15-8-10(13)16(12)2/h8-9,11H,3-7,14H2,1-2H3.
What are the key properties of [2-(5-chloro-1-methylimidazol-2-yl)-1-propylpyrrolidin-3-yl]methanamine?
[2-(5-chloro-1-methylimidazol-2-yl)-1-propylpyrrolidin-3-yl]methanamine has a molecular weight of 256.78 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-1-methylimidazol-2-yl)-1-propylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 114239520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).