2-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline

C14H13N5 — CID 62763592

IUPAC2-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline
SMILESc1ccc(-n2ccnc2)c(NCc2cnccn2)c1
InChIInChI=1S/C14H13N5/c1-2-4-14(19-8-7-16-11-19)13(3-1)18-10-12-9-15-5-6-17-12/h1-9,11,18H,10H2
InChIKeyRRMQFRYMSSIHFU-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.27
Rot. Bonds4

About 2-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline

2-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline (PubChem CID 62763592) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline
PubChem CID62763592
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name2-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline
SMILESc1ccc(-n2ccnc2)c(NCc2cnccn2)c1
InChIInChI=1S/C14H13N5/c1-2-4-14(19-8-7-16-11-19)13(3-1)18-10-12-9-15-5-6-17-12/h1-9,11,18H,10H2
InChIKeyRRMQFRYMSSIHFU-UHFFFAOYSA-N
XLogP2.27
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethylphenyl)methyl]-2-imidazol-1-ylaniline
CID 62392271
3-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline
CID 55110075
2-imidazol-1-yl-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 103347464
N-[(3,5-dichlorophenyl)methyl]-2-imidazol-1-ylaniline
CID 60789771
N-[(1-ethylimidazol-2-yl)methyl]-2-imidazol-1-ylaniline
CID 62355714
[2-(pyrazin-2-ylmethylamino)phenyl]methanol
CID 62762007
2-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936418
3-[(2-imidazol-1-ylanilino)methyl]benzene-1,2-diol
CID 61320323
2-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]aniline
CID 43673464
N-(2-ethylbutyl)-2-imidazol-1-ylaniline
CID 43673499
N'-tert-butyl-N-(2-imidazol-1-ylphenyl)ethane-1,2-diamine
CID 107444874
2-fluoro-6-[(2-imidazol-1-ylanilino)methyl]phenol
CID 115951077

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline?
The IUPAC name of 2-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline (CID 62763592) is 2-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline.
What is the SMILES notation for 2-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline?
The canonical SMILES for 2-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline is c1ccc(-n2ccnc2)c(NCc2cnccn2)c1.
What is the InChIKey of 2-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline?
The InChIKey is RRMQFRYMSSIHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c1-2-4-14(19-8-7-16-11-19)13(3-1)18-10-12-9-15-5-6-17-12/h1-9,11,18H,10H2.
What are the key properties of 2-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline?
2-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline has a molecular weight of 251.29 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline is sourced from PubChem (CID 62763592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).