3-(benzimidazol-1-ylmethyl)pyridine-2-carboximidamide

C14H13N5 — CID 62894396

IUPAC3-(benzimidazol-1-ylmethyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1Cn1cnc2ccccc21
InChIInChI=1S/C14H13N5/c15-14(16)13-10(4-3-7-17-13)8-19-9-18-11-5-1-2-6-12(11)19/h1-7,9H,8H2,(H3,15,16)
InChIKeyNOHBSRFLXIJJJI-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.76
Rot. Bonds3

About 3-(benzimidazol-1-ylmethyl)pyridine-2-carboximidamide

3-(benzimidazol-1-ylmethyl)pyridine-2-carboximidamide (PubChem CID 62894396) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-(benzimidazol-1-ylmethyl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-(benzimidazol-1-ylmethyl)pyridine-2-carboximidamide
PubChem CID62894396
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name3-(benzimidazol-1-ylmethyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1Cn1cnc2ccccc21
InChIInChI=1S/C14H13N5/c15-14(16)13-10(4-3-7-17-13)8-19-9-18-11-5-1-2-6-12(11)19/h1-7,9H,8H2,(H3,15,16)
InChIKeyNOHBSRFLXIJJJI-UHFFFAOYSA-N
XLogP1.76
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-(benzimidazol-1-ylmethyl)benzenecarboximidamide
CID 24694539
4-(benzimidazol-1-ylmethyl)-3-chlorobenzenecarboximidamide
CID 102668035
3-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carboximidamide
CID 62895246
3-(benzimidazol-1-ylmethyl)benzenecarboximidamide;trihydrochloride
CID 47002397
3-(diethylaminomethyl)pyridine-2-carboximidamide
CID 62895902
3-[(3-hydroxypyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
CID 62943758
3-[(N-ethyl-2-methylanilino)methyl]pyridine-2-carboximidamide
CID 62895735
3-[(4,4-diethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide
CID 63158312
3-(benzimidazol-1-ylmethyl)-2-bromoaniline
CID 114048546
3-[(3-hydroxypiperidin-1-yl)methyl]pyridine-2-carboximidamide
CID 62893702
3-[(2-bromophenyl)methoxymethyl]pyridine-2-carboximidamide
CID 82823385
3-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboximidamide
CID 63694039

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-ylmethyl)pyridine-2-carboximidamide?
The IUPAC name of 3-(benzimidazol-1-ylmethyl)pyridine-2-carboximidamide (CID 62894396) is 3-(benzimidazol-1-ylmethyl)pyridine-2-carboximidamide.
What is the SMILES notation for 3-(benzimidazol-1-ylmethyl)pyridine-2-carboximidamide?
The canonical SMILES for 3-(benzimidazol-1-ylmethyl)pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1Cn1cnc2ccccc21.
What is the InChIKey of 3-(benzimidazol-1-ylmethyl)pyridine-2-carboximidamide?
The InChIKey is NOHBSRFLXIJJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c15-14(16)13-10(4-3-7-17-13)8-19-9-18-11-5-1-2-6-12(11)19/h1-7,9H,8H2,(H3,15,16).
What are the key properties of 3-(benzimidazol-1-ylmethyl)pyridine-2-carboximidamide?
3-(benzimidazol-1-ylmethyl)pyridine-2-carboximidamide has a molecular weight of 251.29 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-ylmethyl)pyridine-2-carboximidamide is sourced from PubChem (CID 62894396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).