N-[(1-ethylimidazol-2-yl)methyl]-2-imidazol-1-ylaniline

C15H17N5 — CID 62355714

IUPACN-[(1-ethylimidazol-2-yl)methyl]-2-imidazol-1-ylaniline
SMILESCCn1ccnc1CNc1ccccc1-n1ccnc1
InChIInChI=1S/C15H17N5/c1-2-19-10-8-17-15(19)11-18-13-5-3-4-6-14(13)20-9-7-16-12-20/h3-10,12,18H,2,11H2,1H3
InChIKeyVQBGSJZHYBIWRX-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.70
Rot. Bonds5

About N-[(1-ethylimidazol-2-yl)methyl]-2-imidazol-1-ylaniline

N-[(1-ethylimidazol-2-yl)methyl]-2-imidazol-1-ylaniline (PubChem CID 62355714) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-2-imidazol-1-ylaniline.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-2-imidazol-1-ylaniline
PubChem CID62355714
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-2-imidazol-1-ylaniline
SMILESCCn1ccnc1CNc1ccccc1-n1ccnc1
InChIInChI=1S/C15H17N5/c1-2-19-10-8-17-15(19)11-18-13-5-3-4-6-14(13)20-9-7-16-12-20/h3-10,12,18H,2,11H2,1H3
InChIKeyVQBGSJZHYBIWRX-UHFFFAOYSA-N
XLogP2.70
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethylphenyl)methyl]-2-imidazol-1-ylaniline
CID 62392271
N-[(1-ethylimidazol-2-yl)methyl]-2-methylpyridin-3-amine
CID 79041847
N-(2-ethylbutyl)-2-imidazol-1-ylaniline
CID 43673499
2-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline
CID 62763592
2-bromo-3-chloro-N-[(1-ethylimidazol-2-yl)methyl]aniline
CID 103478138
2-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]aniline
CID 43673464
N-[(3,5-dichlorophenyl)methyl]-2-imidazol-1-ylaniline
CID 60789771
2-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936418
N'-tert-butyl-N-(2-imidazol-1-ylphenyl)ethane-1,2-diamine
CID 107444874
3-[(2-imidazol-1-ylanilino)methyl]benzene-1,2-diol
CID 61320323
2-[(1-ethylimidazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 62351342
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-imidazol-1-ylaniline
CID 43673562

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-2-imidazol-1-ylaniline?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-2-imidazol-1-ylaniline (CID 62355714) is N-[(1-ethylimidazol-2-yl)methyl]-2-imidazol-1-ylaniline.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-2-imidazol-1-ylaniline?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-2-imidazol-1-ylaniline is CCn1ccnc1CNc1ccccc1-n1ccnc1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-2-imidazol-1-ylaniline?
The InChIKey is VQBGSJZHYBIWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-2-19-10-8-17-15(19)11-18-13-5-3-4-6-14(13)20-9-7-16-12-20/h3-10,12,18H,2,11H2,1H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-2-imidazol-1-ylaniline?
N-[(1-ethylimidazol-2-yl)methyl]-2-imidazol-1-ylaniline has a molecular weight of 267.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-2-imidazol-1-ylaniline is sourced from PubChem (CID 62355714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).