2-(1H-benzimidazol-2-yl)-N'-ethylethanimidamide

C11H14N4 — CID 63640669

IUPAC2-(1H-benzimidazol-2-yl)-N'-ethylethanimidamide
SMILESCC/N=C(\N)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C11H14N4/c1-2-13-10(12)7-11-14-8-5-3-4-6-9(8)15-11/h3-6H,2,7H2,1H3,(H2,12,13)(H,14,15)
InChIKeyFXPMCGRWHKKPRC-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.48
Rot. Bonds3

About 2-(1H-benzimidazol-2-yl)-N'-ethylethanimidamide

2-(1H-benzimidazol-2-yl)-N'-ethylethanimidamide (PubChem CID 63640669) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-N'-ethylethanimidamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-N'-ethylethanimidamide
PubChem CID63640669
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-(1H-benzimidazol-2-yl)-N'-ethylethanimidamide
SMILESCC/N=C(\N)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C11H14N4/c1-2-13-10(12)7-11-14-8-5-3-4-6-9(8)15-11/h3-6H,2,7H2,1H3,(H2,12,13)(H,14,15)
InChIKeyFXPMCGRWHKKPRC-UHFFFAOYSA-N
XLogP1.48
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.48
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

bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079
1H-benzimidazol-2-ylmethyl propanoate
CID 20738516
N'-[2-(1H-benzimidazol-2-yl)ethyl]-2-sulfanylethanimidamide;dihydrochloride
CID 131875532
2-(1H-benzimidazol-2-yl)acetate
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(NZ)-N-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]hydroxylamine
CID 25344926
2-(2-methylidenebut-3-enyl)-1H-benzimidazole
CID 163413437
1H-benzimidazol-2-ylmethanamine;hydrate
CID 23192500
2-[2-(1H-benzimidazol-2-yl)ethyl]-1,3-diethylguanidine
CID 110914745
2-[2-(1H-benzimidazol-2-yl)ethyl]-1-tert-butylguanidine;hydroiodide
CID 111033686
2-docosyl-1H-benzimidazole
CID 141189761
2-(1H-benzimidazol-2-yl)-N-butylacetamide
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CID 58296357
CID 58296357

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-N'-ethylethanimidamide?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-N'-ethylethanimidamide (CID 63640669) is 2-(1H-benzimidazol-2-yl)-N'-ethylethanimidamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-N'-ethylethanimidamide?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-N'-ethylethanimidamide is CC/N=C(\N)Cc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-N'-ethylethanimidamide?
The InChIKey is FXPMCGRWHKKPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-2-13-10(12)7-11-14-8-5-3-4-6-9(8)15-11/h3-6H,2,7H2,1H3,(H2,12,13)(H,14,15).
What are the key properties of 2-(1H-benzimidazol-2-yl)-N'-ethylethanimidamide?
2-(1H-benzimidazol-2-yl)-N'-ethylethanimidamide has a molecular weight of 202.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-N'-ethylethanimidamide is sourced from PubChem (CID 63640669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).