2-(6-carbamimidoyl-1H-benzimidazol-2-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide

C17H18N6O2 — CID 22125539

IUPAC2-(6-carbamimidoyl-1H-benzimidazol-2-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3ncccc3C(=O)NCCOC)[nH]c2c1
InChIInChI=1S/C17H18N6O2/c1-25-8-7-21-17(24)11-3-2-6-20-14(11)16-22-12-5-4-10(15(18)19)9-13(12)23-16/h2-6,9H,7-8H2,1H3,(H3,18,19)(H,21,24)(H,22,23)
InChIKeyWABSLHMKUWIVCR-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.29
Rot. Bonds6

About 2-(6-carbamimidoyl-1H-benzimidazol-2-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide

2-(6-carbamimidoyl-1H-benzimidazol-2-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide (PubChem CID 22125539) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-(6-carbamimidoyl-1H-benzimidazol-2-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(6-carbamimidoyl-1H-benzimidazol-2-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
PubChem CID22125539
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name2-(6-carbamimidoyl-1H-benzimidazol-2-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3ncccc3C(=O)NCCOC)[nH]c2c1
InChIInChI=1S/C17H18N6O2/c1-25-8-7-21-17(24)11-3-2-6-20-14(11)16-22-12-5-4-10(15(18)19)9-13(12)23-16/h2-6,9H,7-8H2,1H3,(H3,18,19)(H,21,24)(H,22,23)
InChIKeyWABSLHMKUWIVCR-UHFFFAOYSA-N
XLogP1.29
TPSA129.77 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,3-benzodioxol-4-yl)ethyl]-2-(6-carbamimidoyl-1H-benzimidazol-2-yl)pyridine-3-carboxamide
CID 22125570
2-(3-methyl-2-pyridinyl)-3H-benzimidazole-5-carboximidamide
CID 153286644
2-(3-methyl-2-pyridinyl)-3H-benzimidazole-5-carboximidamide;dihydrochloride
CID 153286643
2-(6-carbamimidoyl-1H-benzimidazol-2-yl)-N-[2-(1,3-dioxol-4-yl)-3-phenylpropyl]pyridine-3-carboxamide
CID 57189223
2-[5-(6-carbamimidoyl-1H-benzimidazol-2-yl)-1H-pyrrol-2-yl]-3H-benzimidazole-5-carboximidamide;ethanol
CID 139912797
N-butyl-2-[(6-carbamimidoyl-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole-4-carboxamide
CID 70082194
2-[4-[4-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)phenoxy]butoxy]phenyl]-3H-benzimidazole-5-carboximidamide;tetrahydrochloride
CID 162642784
2-[4-(4-carbamimidoylphenyl)phenyl]-3H-benzimidazole-5-carboximidamide
CID 5327049
2-ethyl-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
CID 110765503
ethyl 4-[2-(6-carbamimidoyl-1H-benzimidazol-2-yl)imidazol-1-yl]butanoate
CID 57200800
N-(2-methoxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide
CID 141129422
2-(4-phenylphenyl)-3H-benzimidazole-5-carboximidamide
CID 15435186

Frequently Asked Questions

What is the IUPAC name of 2-(6-carbamimidoyl-1H-benzimidazol-2-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(6-carbamimidoyl-1H-benzimidazol-2-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide (CID 22125539) is 2-(6-carbamimidoyl-1H-benzimidazol-2-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(6-carbamimidoyl-1H-benzimidazol-2-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(6-carbamimidoyl-1H-benzimidazol-2-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide is [H]/N=C(\N)c1ccc2nc(-c3ncccc3C(=O)NCCOC)[nH]c2c1.
What is the InChIKey of 2-(6-carbamimidoyl-1H-benzimidazol-2-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide?
The InChIKey is WABSLHMKUWIVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-25-8-7-21-17(24)11-3-2-6-20-14(11)16-22-12-5-4-10(15(18)19)9-13(12)23-16/h2-6,9H,7-8H2,1H3,(H3,18,19)(H,21,24)(H,22,23).
What are the key properties of 2-(6-carbamimidoyl-1H-benzimidazol-2-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide?
2-(6-carbamimidoyl-1H-benzimidazol-2-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.29, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-carbamimidoyl-1H-benzimidazol-2-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 22125539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).