3-(2-tert-butyl-1H-imidazol-5-yl)benzenecarboximidamide

C14H18N4 — CID 58290735

IUPAC3-(2-tert-butyl-1H-imidazol-5-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(-c2cnc(C(C)(C)C)[nH]2)c1
InChIInChI=1S/C14H18N4/c1-14(2,3)13-17-8-11(18-13)9-5-4-6-10(7-9)12(15)16/h4-8H,1-3H3,(H3,15,16)(H,17,18)
InChIKeyXRVKVRRJPSIMKI-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.66
Rot. Bonds2

About 3-(2-tert-butyl-1H-imidazol-5-yl)benzenecarboximidamide

3-(2-tert-butyl-1H-imidazol-5-yl)benzenecarboximidamide (PubChem CID 58290735) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 3-(2-tert-butyl-1H-imidazol-5-yl)benzenecarboximidamide.

Molecular Properties

Compound Name3-(2-tert-butyl-1H-imidazol-5-yl)benzenecarboximidamide
PubChem CID58290735
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name3-(2-tert-butyl-1H-imidazol-5-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(-c2cnc(C(C)(C)C)[nH]2)c1
InChIInChI=1S/C14H18N4/c1-14(2,3)13-17-8-11(18-13)9-5-4-6-10(7-9)12(15)16/h4-8H,1-3H3,(H3,15,16)(H,17,18)
InChIKeyXRVKVRRJPSIMKI-UHFFFAOYSA-N
XLogP2.66
TPSA78.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.66
H-Bond Donors ≤ 53
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

3-(5-phenyl-1H-pyrrol-2-yl)benzenecarboximidamide
CID 89250354
5-(3-bromophenyl)-2-tert-butyl-1H-imidazole
CID 59836686
4-(2-tert-butyl-1H-imidazol-5-yl)benzamide
CID 59836529
2-(3-carbamimidoylphenyl)-1H-indole-5-carboximidamide
CID 3010563
2-[3-(4-carbamimidoyl-2-pyridinyl)phenyl]pyridine-4-carboximidamide;dihydrochloride
CID 90664992
6-[3-(5-carbamimidoyl-2-pyridinyl)phenyl]pyridine-3-carboximidamide
CID 71745309
5-(2-tert-butyl-1H-imidazol-5-yl)-2-chloroaniline
CID 115046610
4-(2-ethyl-1H-imidazol-5-yl)benzenecarboximidamide
CID 67124587
benzenecarboximidamide;2,5-diphenyl-1H-imidazole;ethane;methanol;1-phenylpropan-1-one
CID 157191834
3-[7-(3-carbamimidoylphenyl)naphthalen-2-yl]benzenecarboximidamide
CID 10338813
2-[2-(4-carbamimidoylphenyl)-1H-imidazol-5-yl]-3H-benzimidazole-5-carboximidamide
CID 122219176
4-(3-carbamimidoylphenyl)pyrimidine-2-carboximidamide
CID 11776427

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butyl-1H-imidazol-5-yl)benzenecarboximidamide?
The IUPAC name of 3-(2-tert-butyl-1H-imidazol-5-yl)benzenecarboximidamide (CID 58290735) is 3-(2-tert-butyl-1H-imidazol-5-yl)benzenecarboximidamide.
What is the SMILES notation for 3-(2-tert-butyl-1H-imidazol-5-yl)benzenecarboximidamide?
The canonical SMILES for 3-(2-tert-butyl-1H-imidazol-5-yl)benzenecarboximidamide is [H]/N=C(\N)c1cccc(-c2cnc(C(C)(C)C)[nH]2)c1.
What is the InChIKey of 3-(2-tert-butyl-1H-imidazol-5-yl)benzenecarboximidamide?
The InChIKey is XRVKVRRJPSIMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-14(2,3)13-17-8-11(18-13)9-5-4-6-10(7-9)12(15)16/h4-8H,1-3H3,(H3,15,16)(H,17,18).
What are the key properties of 3-(2-tert-butyl-1H-imidazol-5-yl)benzenecarboximidamide?
3-(2-tert-butyl-1H-imidazol-5-yl)benzenecarboximidamide has a molecular weight of 242.33 g/mol, XLogP of 2.66, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butyl-1H-imidazol-5-yl)benzenecarboximidamide is sourced from PubChem (CID 58290735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).