2-chloro-5-ethyl-4-(1-methylpyrrolidin-2-yl)-1H-imidazole

C10H16ClN3 — CID 115028562

IUPAC2-chloro-5-ethyl-4-(1-methylpyrrolidin-2-yl)-1H-imidazole
SMILESCCc1[nH]c(Cl)nc1C1CCCN1C
InChIInChI=1S/C10H16ClN3/c1-3-7-9(13-10(11)12-7)8-5-4-6-14(8)2/h8H,3-6H2,1-2H3,(H,12,13)
InChIKeyUEOBKKVISIWHFX-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.39
Rot. Bonds2

About 2-chloro-5-ethyl-4-(1-methylpyrrolidin-2-yl)-1H-imidazole

2-chloro-5-ethyl-4-(1-methylpyrrolidin-2-yl)-1H-imidazole (PubChem CID 115028562) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-chloro-5-ethyl-4-(1-methylpyrrolidin-2-yl)-1H-imidazole.

Molecular Properties

Compound Name2-chloro-5-ethyl-4-(1-methylpyrrolidin-2-yl)-1H-imidazole
PubChem CID115028562
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name2-chloro-5-ethyl-4-(1-methylpyrrolidin-2-yl)-1H-imidazole
SMILESCCc1[nH]c(Cl)nc1C1CCCN1C
InChIInChI=1S/C10H16ClN3/c1-3-7-9(13-10(11)12-7)8-5-4-6-14(8)2/h8H,3-6H2,1-2H3,(H,12,13)
InChIKeyUEOBKKVISIWHFX-UHFFFAOYSA-N
XLogP2.39
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1-methylpyrrolidin-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]methanamine
CID 105489955
2-bromo-5-methyl-4-(1-methylpyrrolidin-2-yl)-1,3-oxazole
CID 115045484
5-chloro-3-(1-methylpyrrolidin-2-yl)pyridazine
CID 117105735
5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-amine
CID 115077784
2-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115077901
2-(2-ethylimidazol-1-yl)-6-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 95839014
(4R)-3-[(2R)-1-methylpyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 124748837
3-(2-methoxyethyl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 70955476
5-[(2S)-1-methylpyrrolidin-2-yl]-2-[5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridin-2-yl]furo[2,3-b]pyridine
CID 45141024
2-(1-methylpyrrolidin-2-yl)pyrimidine
CID 89060530
3-(1-methylpyrrolidin-2-yl)pyridine;propane
CID 91386217
2-bromo-5-methyl-4-(1-methylpiperidin-2-yl)-1,3-oxazole
CID 115048381

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-ethyl-4-(1-methylpyrrolidin-2-yl)-1H-imidazole?
The IUPAC name of 2-chloro-5-ethyl-4-(1-methylpyrrolidin-2-yl)-1H-imidazole (CID 115028562) is 2-chloro-5-ethyl-4-(1-methylpyrrolidin-2-yl)-1H-imidazole.
What is the SMILES notation for 2-chloro-5-ethyl-4-(1-methylpyrrolidin-2-yl)-1H-imidazole?
The canonical SMILES for 2-chloro-5-ethyl-4-(1-methylpyrrolidin-2-yl)-1H-imidazole is CCc1[nH]c(Cl)nc1C1CCCN1C.
What is the InChIKey of 2-chloro-5-ethyl-4-(1-methylpyrrolidin-2-yl)-1H-imidazole?
The InChIKey is UEOBKKVISIWHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-3-7-9(13-10(11)12-7)8-5-4-6-14(8)2/h8H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-chloro-5-ethyl-4-(1-methylpyrrolidin-2-yl)-1H-imidazole?
2-chloro-5-ethyl-4-(1-methylpyrrolidin-2-yl)-1H-imidazole has a molecular weight of 213.71 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-ethyl-4-(1-methylpyrrolidin-2-yl)-1H-imidazole is sourced from PubChem (CID 115028562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).