1-(1-benzylpyrrolidin-3-yl)imidazole

C14H17N3 — CID 18712879

IUPAC1-(1-benzylpyrrolidin-3-yl)imidazole
SMILESc1ccc(CN2CCC(n3ccnc3)C2)cc1
InChIInChI=1S/C14H17N3/c1-2-4-13(5-3-1)10-16-8-6-14(11-16)17-9-7-15-12-17/h1-5,7,9,12,14H,6,8,10-11H2
InChIKeyMEHGZKIWJHTWJU-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.33
Rot. Bonds3

About 1-(1-benzylpyrrolidin-3-yl)imidazole

1-(1-benzylpyrrolidin-3-yl)imidazole (PubChem CID 18712879) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(1-benzylpyrrolidin-3-yl)imidazole.

Molecular Properties

Compound Name1-(1-benzylpyrrolidin-3-yl)imidazole
PubChem CID18712879
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1-(1-benzylpyrrolidin-3-yl)imidazole
SMILESc1ccc(CN2CCC(n3ccnc3)C2)cc1
InChIInChI=1S/C14H17N3/c1-2-4-13(5-3-1)10-16-8-6-14(11-16)17-9-7-15-12-17/h1-5,7,9,12,14H,6,8,10-11H2
InChIKeyMEHGZKIWJHTWJU-UHFFFAOYSA-N
XLogP2.33
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-1-[(1-benzylpyrazol-4-yl)methyl]-3-imidazol-1-yl-4-methylpiperidine
CID 124776982
1-(1-benzylpyrrolidin-3-yl)-1,2,4-triazol-3-amine
CID 130775574
4-(difluoromethyl)-2-[3-[(3-imidazol-1-ylpyrrolidin-1-yl)methyl]phenyl]-1H-pyrimidin-6-one
CID 135906357
2-chloro-3-[[(3R)-3-imidazol-1-ylpiperidin-1-yl]methyl]quinoline
CID 95154123
1-(4-imidazol-1-ylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 111858515
4-(1-benzylpyrrolidin-3-yl)pyridine
CID 11085844
3-imidazol-1-yl-4-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine
CID 75438067
CID 58171508
CID 58171508
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
(3S,4S)-1-benzyl-4-chloro-3-methylpiperidine
CID 97176910
1-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968330
1-(1-benzylpyrrolidin-3-yl)piperidin-3-amine
CID 61296822

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrrolidin-3-yl)imidazole?
The IUPAC name of 1-(1-benzylpyrrolidin-3-yl)imidazole (CID 18712879) is 1-(1-benzylpyrrolidin-3-yl)imidazole.
What is the SMILES notation for 1-(1-benzylpyrrolidin-3-yl)imidazole?
The canonical SMILES for 1-(1-benzylpyrrolidin-3-yl)imidazole is c1ccc(CN2CCC(n3ccnc3)C2)cc1.
What is the InChIKey of 1-(1-benzylpyrrolidin-3-yl)imidazole?
The InChIKey is MEHGZKIWJHTWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-4-13(5-3-1)10-16-8-6-14(11-16)17-9-7-15-12-17/h1-5,7,9,12,14H,6,8,10-11H2.
What are the key properties of 1-(1-benzylpyrrolidin-3-yl)imidazole?
1-(1-benzylpyrrolidin-3-yl)imidazole has a molecular weight of 227.31 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrrolidin-3-yl)imidazole is sourced from PubChem (CID 18712879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).