N'-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]methanimidamide

C12H14N4 — CID 14479829

IUPACN'-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]methanimidamide
SMILESCC/N=C/Nc1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C12H14N4/c1-2-13-8-15-11-5-3-10(4-6-11)12-7-14-9-16-12/h3-9H,2H2,1H3,(H,13,15)(H,14,16)
InChIKeyWPRKRUJEGXRIQE-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.54
Rot. Bonds4

About N'-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]methanimidamide

N'-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]methanimidamide (PubChem CID 14479829) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is N'-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]methanimidamide.

Molecular Properties

Compound NameN'-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]methanimidamide
PubChem CID14479829
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC NameN'-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]methanimidamide
SMILESCC/N=C/Nc1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C12H14N4/c1-2-13-8-15-11-5-3-10(4-6-11)12-7-14-9-16-12/h3-9H,2H2,1H3,(H,13,15)(H,14,16)
InChIKeyWPRKRUJEGXRIQE-UHFFFAOYSA-N
XLogP2.54
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

CID 5311068
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CID 68602
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CID 675
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CID 6918081
CID 6918081
CID 56031
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CID 68601
CID 68601
CID 11979
CID 11979
CID 69591
CID 69591
CID 71263
CID 71263
CID 69590
CID 69590
CID 448632
CID 448632
CID 71967
CID 71967

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]methanimidamide?
The IUPAC name of N'-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]methanimidamide (CID 14479829) is N'-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]methanimidamide.
What is the SMILES notation for N'-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]methanimidamide?
The canonical SMILES for N'-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]methanimidamide is CC/N=C/Nc1ccc(-c2cnc[nH]2)cc1.
What is the InChIKey of N'-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]methanimidamide?
The InChIKey is WPRKRUJEGXRIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-2-13-8-15-11-5-3-10(4-6-11)12-7-14-9-16-12/h3-9H,2H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N'-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]methanimidamide?
N'-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]methanimidamide has a molecular weight of 214.27 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]methanimidamide is sourced from PubChem (CID 14479829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).