2-(5-butyl-2-pyridinyl)-1-methylbenzimidazole-5-carboximidamide

C18H21N5 — CID 22125551

IUPAC2-(5-butyl-2-pyridinyl)-1-methylbenzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)nc(-c1ccc(CCCC)cn1)n2C
InChIInChI=1S/C18H21N5/c1-3-4-5-12-6-8-14(21-11-12)18-22-15-10-13(17(19)20)7-9-16(15)23(18)2/h6-11H,3-5H2,1-2H3,(H3,19,20)
InChIKeyRHONPLCQIXCVCY-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.26
Rot. Bonds5

About 2-(5-butyl-2-pyridinyl)-1-methylbenzimidazole-5-carboximidamide

2-(5-butyl-2-pyridinyl)-1-methylbenzimidazole-5-carboximidamide (PubChem CID 22125551) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-(5-butyl-2-pyridinyl)-1-methylbenzimidazole-5-carboximidamide.

Molecular Properties

Compound Name2-(5-butyl-2-pyridinyl)-1-methylbenzimidazole-5-carboximidamide
PubChem CID22125551
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name2-(5-butyl-2-pyridinyl)-1-methylbenzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)nc(-c1ccc(CCCC)cn1)n2C
InChIInChI=1S/C18H21N5/c1-3-4-5-12-6-8-14(21-11-12)18-22-15-10-13(17(19)20)7-9-16(15)23(18)2/h6-11H,3-5H2,1-2H3,(H3,19,20)
InChIKeyRHONPLCQIXCVCY-UHFFFAOYSA-N
XLogP3.26
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.26
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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Frequently Asked Questions

What is the IUPAC name of 2-(5-butyl-2-pyridinyl)-1-methylbenzimidazole-5-carboximidamide?
The IUPAC name of 2-(5-butyl-2-pyridinyl)-1-methylbenzimidazole-5-carboximidamide (CID 22125551) is 2-(5-butyl-2-pyridinyl)-1-methylbenzimidazole-5-carboximidamide.
What is the SMILES notation for 2-(5-butyl-2-pyridinyl)-1-methylbenzimidazole-5-carboximidamide?
The canonical SMILES for 2-(5-butyl-2-pyridinyl)-1-methylbenzimidazole-5-carboximidamide is [H]/N=C(\N)c1ccc2c(c1)nc(-c1ccc(CCCC)cn1)n2C.
What is the InChIKey of 2-(5-butyl-2-pyridinyl)-1-methylbenzimidazole-5-carboximidamide?
The InChIKey is RHONPLCQIXCVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-3-4-5-12-6-8-14(21-11-12)18-22-15-10-13(17(19)20)7-9-16(15)23(18)2/h6-11H,3-5H2,1-2H3,(H3,19,20).
What are the key properties of 2-(5-butyl-2-pyridinyl)-1-methylbenzimidazole-5-carboximidamide?
2-(5-butyl-2-pyridinyl)-1-methylbenzimidazole-5-carboximidamide has a molecular weight of 307.40 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-butyl-2-pyridinyl)-1-methylbenzimidazole-5-carboximidamide is sourced from PubChem (CID 22125551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).