2-(5-methyl-1H-imidazol-4-yl)-1-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazole

C18H21N5 — CID 56868847

IUPAC2-(5-methyl-1H-imidazol-4-yl)-1-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazole
SMILESCc1[nH]cnc1-c1nccn1-c1cccc(CN2CCCC2)c1
InChIInChI=1S/C18H21N5/c1-14-17(21-13-20-14)18-19-7-10-23(18)16-6-4-5-15(11-16)12-22-8-2-3-9-22/h4-7,10-11,13H,2-3,8-9,12H2,1H3,(H,20,21)
InChIKeyZAVVGEYKAMKKSE-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.17
Rot. Bonds4

About 2-(5-methyl-1H-imidazol-4-yl)-1-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazole

2-(5-methyl-1H-imidazol-4-yl)-1-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazole (PubChem CID 56868847) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-(5-methyl-1H-imidazol-4-yl)-1-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazole.

Molecular Properties

Compound Name2-(5-methyl-1H-imidazol-4-yl)-1-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazole
PubChem CID56868847
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name2-(5-methyl-1H-imidazol-4-yl)-1-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazole
SMILESCc1[nH]cnc1-c1nccn1-c1cccc(CN2CCCC2)c1
InChIInChI=1S/C18H21N5/c1-14-17(21-13-20-14)18-19-7-10-23(18)16-6-4-5-15(11-16)12-22-8-2-3-9-22/h4-7,10-11,13H,2-3,8-9,12H2,1H3,(H,20,21)
InChIKeyZAVVGEYKAMKKSE-UHFFFAOYSA-N
XLogP3.17
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Mifentidine
CID 71263
3-(1H-imidazol-5-yl)pyridine
CID 3040177
Immethridine
CID 9989505
Ngd 94-1
CID 188942
FR-79620
CID 10421577
3-Imidazol-1-ylmethyl-1H-indole
CID 792486
1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylphenyl)imidazolidin-2-one
CID 10492280
1-(3,5-dimethylphenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
CID 10779428
2,4-Diphenylimidazole
CID 296732
4-Methyl-2-phenyl-1H-imidazole
CID 70012
UK 34787
CID 194468
2,4-Disubstituted Pyrimidine 2b
CID 5329415

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-imidazol-4-yl)-1-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazole?
The IUPAC name of 2-(5-methyl-1H-imidazol-4-yl)-1-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazole (CID 56868847) is 2-(5-methyl-1H-imidazol-4-yl)-1-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazole.
What is the SMILES notation for 2-(5-methyl-1H-imidazol-4-yl)-1-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazole?
The canonical SMILES for 2-(5-methyl-1H-imidazol-4-yl)-1-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazole is Cc1[nH]cnc1-c1nccn1-c1cccc(CN2CCCC2)c1.
What is the InChIKey of 2-(5-methyl-1H-imidazol-4-yl)-1-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazole?
The InChIKey is ZAVVGEYKAMKKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-14-17(21-13-20-14)18-19-7-10-23(18)16-6-4-5-15(11-16)12-22-8-2-3-9-22/h4-7,10-11,13H,2-3,8-9,12H2,1H3,(H,20,21).
What are the key properties of 2-(5-methyl-1H-imidazol-4-yl)-1-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazole?
2-(5-methyl-1H-imidazol-4-yl)-1-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazole has a molecular weight of 307.40 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-imidazol-4-yl)-1-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazole is sourced from PubChem (CID 56868847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).