2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methyl-2-pyrrolidin-1-ylethanamine

C16H21ClN4 — CID 84744185

IUPAC2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methyl-2-pyrrolidin-1-ylethanamine
SMILESCNCC(c1[nH]c(-c2ccccc2)nc1Cl)N1CCCC1
InChIInChI=1S/C16H21ClN4/c1-18-11-13(21-9-5-6-10-21)14-15(17)20-16(19-14)12-7-3-2-4-8-12/h2-4,7-8,13,18H,5-6,9-11H2,1H3,(H,19,20)
InChIKeySJMQBLHKSNWCFP-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.09
Rot. Bonds5

About 2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methyl-2-pyrrolidin-1-ylethanamine

2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methyl-2-pyrrolidin-1-ylethanamine (PubChem CID 84744185) has the molecular formula C16H21ClN4 and a molecular weight of 304.82 g/mol. Its IUPAC name is 2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methyl-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methyl-2-pyrrolidin-1-ylethanamine
PubChem CID84744185
Molecular FormulaC16H21ClN4
Molecular Weight304.82 g/mol
Exact Mass304.15
IUPAC Name2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methyl-2-pyrrolidin-1-ylethanamine
SMILESCNCC(c1[nH]c(-c2ccccc2)nc1Cl)N1CCCC1
InChIInChI=1S/C16H21ClN4/c1-18-11-13(21-9-5-6-10-21)14-15(17)20-16(19-14)12-7-3-2-4-8-12/h2-4,7-8,13,18H,5-6,9-11H2,1H3,(H,19,20)
InChIKeySJMQBLHKSNWCFP-UHFFFAOYSA-N
XLogP3.09
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylpiperazin-1-yl)-2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methylethanamine
CID 84745652
2-(4-fluorophenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 22692501
2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)-N-methylethanamine
CID 84745575
2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 84745591
N-ethyl-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180882
2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-2-(diethylamino)acetonitrile
CID 84743724
2-(4-bromo-2-methyl-1H-imidazol-5-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine
CID 84744537
2-(5-bromo-1-methyl-2-phenylimidazol-4-yl)-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 84745756
2-(4-tert-butylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)-N-methylethanamine
CID 84745616
2-(2,3-dichlorophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine
CID 22692567
N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyridin-4-amine
CID 82538556
2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-pyrrolidin-1-ylacetonitrile
CID 84740448

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methyl-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methyl-2-pyrrolidin-1-ylethanamine (CID 84744185) is 2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methyl-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methyl-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methyl-2-pyrrolidin-1-ylethanamine is CNCC(c1[nH]c(-c2ccccc2)nc1Cl)N1CCCC1.
What is the InChIKey of 2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methyl-2-pyrrolidin-1-ylethanamine?
The InChIKey is SJMQBLHKSNWCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4/c1-18-11-13(21-9-5-6-10-21)14-15(17)20-16(19-14)12-7-3-2-4-8-12/h2-4,7-8,13,18H,5-6,9-11H2,1H3,(H,19,20).
What are the key properties of 2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methyl-2-pyrrolidin-1-ylethanamine?
2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methyl-2-pyrrolidin-1-ylethanamine has a molecular weight of 304.82 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methyl-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 84744185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).