4-(benzimidazol-1-yl)pyrimidine-5-carboximidamide

C12H10N6 — CID 112755822

IUPAC4-(benzimidazol-1-yl)pyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1cncnc1-n1cnc2ccccc21
InChIInChI=1S/C12H10N6/c13-11(14)8-5-15-6-16-12(8)18-7-17-9-3-1-2-4-10(9)18/h1-7H,(H3,13,14)
InChIKeyMRSJZIQNZMCRSI-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.10
Rot. Bonds2

About 4-(benzimidazol-1-yl)pyrimidine-5-carboximidamide

4-(benzimidazol-1-yl)pyrimidine-5-carboximidamide (PubChem CID 112755822) has the molecular formula C12H10N6 and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)pyrimidine-5-carboximidamide.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)pyrimidine-5-carboximidamide
PubChem CID112755822
Molecular FormulaC12H10N6
Molecular Weight238.25 g/mol
Exact Mass238.10
IUPAC Name4-(benzimidazol-1-yl)pyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1cncnc1-n1cnc2ccccc21
InChIInChI=1S/C12H10N6/c13-11(14)8-5-15-6-16-12(8)18-7-17-9-3-1-2-4-10(9)18/h1-7H,(H3,13,14)
InChIKeyMRSJZIQNZMCRSI-UHFFFAOYSA-N
XLogP1.10
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-(benzimidazol-1-yl)-3-methylbenzenecarboximidamide
CID 107110473
4-piperidin-1-ylpyrimidine-5-carboximidamide
CID 83882552
2-(benzimidazol-1-yl)-6-fluorobenzenecarboximidamide;hydrochloride
CID 82253500
4-morpholin-4-ylpyrimidine-5-carboximidamide
CID 83883158
3-(benzimidazol-1-ylmethyl)pyridine-2-carboximidamide
CID 62894396
2-(benzimidazol-1-yl)-3-methylquinoxaline
CID 115579889
4-(benzimidazol-1-ylmethyl)benzenecarboximidamide
CID 24694539
4-(benzimidazol-1-yl)thieno[2,3-d]pyrimidine
CID 17417188
6-(benzimidazol-1-yl)-4-N-ethylpyrimidine-4,5-diamine
CID 19135352
4-(benzimidazol-1-yl)quinazolin-7-amine
CID 65336608
1-pyridin-2-ylbenzimidazole-5-carboximidamide
CID 175132027
[2-(benzimidazol-1-yl)phenyl]methanamine;hydrochloride
CID 75529767

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)pyrimidine-5-carboximidamide?
The IUPAC name of 4-(benzimidazol-1-yl)pyrimidine-5-carboximidamide (CID 112755822) is 4-(benzimidazol-1-yl)pyrimidine-5-carboximidamide.
What is the SMILES notation for 4-(benzimidazol-1-yl)pyrimidine-5-carboximidamide?
The canonical SMILES for 4-(benzimidazol-1-yl)pyrimidine-5-carboximidamide is [H]/N=C(\N)c1cncnc1-n1cnc2ccccc21.
What is the InChIKey of 4-(benzimidazol-1-yl)pyrimidine-5-carboximidamide?
The InChIKey is MRSJZIQNZMCRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6/c13-11(14)8-5-15-6-16-12(8)18-7-17-9-3-1-2-4-10(9)18/h1-7H,(H3,13,14).
What are the key properties of 4-(benzimidazol-1-yl)pyrimidine-5-carboximidamide?
4-(benzimidazol-1-yl)pyrimidine-5-carboximidamide has a molecular weight of 238.25 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)pyrimidine-5-carboximidamide is sourced from PubChem (CID 112755822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).