N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline

C15H20N4 — CID 66117239

IUPACN-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
SMILESCn1cncc1CNc1ccccc1N1CCCC1
InChIInChI=1S/C15H20N4/c1-18-12-16-10-13(18)11-17-14-6-2-3-7-15(14)19-8-4-5-9-19/h2-3,6-7,10,12,17H,4-5,8-9,11H2,1H3
InChIKeyAGMJFZGMYRMZFI-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.63
Rot. Bonds4

About N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline

N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline (PubChem CID 66117239) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
PubChem CID66117239
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
SMILESCn1cncc1CNc1ccccc1N1CCCC1
InChIInChI=1S/C15H20N4/c1-18-12-16-10-13(18)11-17-14-6-2-3-7-15(14)19-8-4-5-9-19/h2-3,6-7,10,12,17H,4-5,8-9,11H2,1H3
InChIKeyAGMJFZGMYRMZFI-UHFFFAOYSA-N
XLogP2.63
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 43684265
N-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-ylaniline
CID 66134412
N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline
CID 28647376
N-[(2-propylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 114555092
N-[(3-methylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline
CID 66119312
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 79578369
N-[(1-ethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 103825717
3-fluoro-2-methyl-N-[(3-methylimidazol-4-yl)methyl]aniline
CID 66117080
2-[(2-pyrrolidin-1-ylanilino)methyl]phenol
CID 43684216
2-methyl-3-[(3-methylimidazol-4-yl)methylamino]benzoic acid
CID 66116637
4-chloro-2-fluoro-N-[(3-methylimidazol-4-yl)methyl]aniline
CID 66117263
2-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66408273

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline?
The IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline (CID 66117239) is N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline?
The canonical SMILES for N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline is Cn1cncc1CNc1ccccc1N1CCCC1.
What is the InChIKey of N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline?
The InChIKey is AGMJFZGMYRMZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-18-12-16-10-13(18)11-17-14-6-2-3-7-15(14)19-8-4-5-9-19/h2-3,6-7,10,12,17H,4-5,8-9,11H2,1H3.
What are the key properties of N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline?
N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline has a molecular weight of 256.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline is sourced from PubChem (CID 66117239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).