5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-imidazole

C15H18ClN3 — CID 77080836

IUPAC5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-imidazole
SMILESCc1ncc(CN2CCC(c3cccc(Cl)c3)C2)[nH]1
InChIInChI=1S/C15H18ClN3/c1-11-17-8-15(18-11)10-19-6-5-13(9-19)12-3-2-4-14(16)7-12/h2-4,7-8,13H,5-6,9-10H2,1H3,(H,17,18)
InChIKeyBTEIRODIUARPEE-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.36
Rot. Bonds3

About 5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-imidazole

5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-imidazole (PubChem CID 77080836) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-imidazole.

Molecular Properties

Compound Name5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-imidazole
PubChem CID77080836
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-imidazole
SMILESCc1ncc(CN2CCC(c3cccc(Cl)c3)C2)[nH]1
InChIInChI=1S/C15H18ClN3/c1-11-17-8-15(18-11)10-19-6-5-13(9-19)12-3-2-4-14(16)7-12/h2-4,7-8,13H,5-6,9-10H2,1H3,(H,17,18)
InChIKeyBTEIRODIUARPEE-UHFFFAOYSA-N
XLogP3.36
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole
CID 77080163
3-(3-chlorophenyl)-1-[(2,4,6-trimethoxyphenyl)methyl]pyrrolidine
CID 77086698
N-methyl-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-amine
CID 126578124
1-[5-[[(3S)-3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-1-methylpyrrol-3-yl]ethanone
CID 99942167
1-[2-[[(3R)-3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-4-methoxyphenyl]pyrazole
CID 99947179
(4aR,8aS)-6-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
CID 125191808
6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-3-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 92563327
(4aR,8aR)-6-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(pyridin-3-ylmethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
CID 125188768
4-(4-fluorophenoxy)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine
CID 167746466
1-ethyl-4-(2-methyl-1H-imidazol-5-yl)piperidine
CID 90202035
4-[3-[3-(3-chlorophenyl)pyrrolidin-1-yl]propoxy]-N-methylaniline;ethane
CID 164906429
2-(3-chlorophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole
CID 43913168

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-imidazole?
The IUPAC name of 5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-imidazole (CID 77080836) is 5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-imidazole.
What is the SMILES notation for 5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-imidazole?
The canonical SMILES for 5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-imidazole is Cc1ncc(CN2CCC(c3cccc(Cl)c3)C2)[nH]1.
What is the InChIKey of 5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-imidazole?
The InChIKey is BTEIRODIUARPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-11-17-8-15(18-11)10-19-6-5-13(9-19)12-3-2-4-14(16)7-12/h2-4,7-8,13H,5-6,9-10H2,1H3,(H,17,18).
What are the key properties of 5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-imidazole?
5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-imidazole has a molecular weight of 275.78 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-imidazole is sourced from PubChem (CID 77080836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).