2-imidazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine

C16H22N4 — CID 60658003

IUPAC2-imidazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
SMILESc1ccc(N2CCCC2)c(CNCCn2ccnc2)c1
InChIInChI=1S/C16H22N4/c1-2-6-16(20-9-3-4-10-20)15(5-1)13-17-7-11-19-12-8-18-14-19/h1-2,5-6,8,12,14,17H,3-4,7,9-11,13H2
InChIKeySTWHCMSVLLNCCV-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.27
Rot. Bonds6

About 2-imidazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine

2-imidazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine (PubChem CID 60658003) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
PubChem CID60658003
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-imidazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
SMILESc1ccc(N2CCCC2)c(CNCCn2ccnc2)c1
InChIInChI=1S/C16H22N4/c1-2-6-16(20-9-3-4-10-20)15(5-1)13-17-7-11-19-12-8-18-14-19/h1-2,5-6,8,12,14,17H,3-4,7,9-11,13H2
InChIKeySTWHCMSVLLNCCV-UHFFFAOYSA-N
XLogP2.27
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-imidazol-1-ylethylamino)methyl]benzonitrile
CID 60695143
2-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43220540
N',N'-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethane-1,2-diamine
CID 43220494
3-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide
CID 43777430
N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-imidazol-1-ylethanamine
CID 80648565
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine
CID 103884536
2-ethoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43778380
2-imidazol-1-yl-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine
CID 78975055
N-[(2-bromophenyl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine
CID 61402192
1-pyridazin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine
CID 106834182
1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 115732323
1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 60961154

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine?
The IUPAC name of 2-imidazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine (CID 60658003) is 2-imidazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-imidazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine?
The canonical SMILES for 2-imidazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine is c1ccc(N2CCCC2)c(CNCCn2ccnc2)c1.
What is the InChIKey of 2-imidazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine?
The InChIKey is STWHCMSVLLNCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-2-6-16(20-9-3-4-10-20)15(5-1)13-17-7-11-19-12-8-18-14-19/h1-2,5-6,8,12,14,17H,3-4,7,9-11,13H2.
What are the key properties of 2-imidazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine?
2-imidazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine has a molecular weight of 270.38 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 60658003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).