4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide

C17H25N5 — CID 110919439

IUPAC4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide
SMILESCc1nc2ccccc2n1CC/N=C(\N)N1CCC(C)CC1
InChIInChI=1S/C17H25N5/c1-13-7-10-21(11-8-13)17(18)19-9-12-22-14(2)20-15-5-3-4-6-16(15)22/h3-6,13H,7-12H2,1-2H3,(H2,18,19)
InChIKeySLMYNBKGJUJAKM-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.39
Rot. Bonds3

About 4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide

4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide (PubChem CID 110919439) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide
PubChem CID110919439
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide
SMILESCc1nc2ccccc2n1CC/N=C(\N)N1CCC(C)CC1
InChIInChI=1S/C17H25N5/c1-13-7-10-21(11-8-13)17(18)19-9-12-22-14(2)20-15-5-3-4-6-16(15)22/h3-6,13H,7-12H2,1-2H3,(H2,18,19)
InChIKeySLMYNBKGJUJAKM-UHFFFAOYSA-N
XLogP2.39
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 110919438
1-cyclopropyl-1-methyl-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
CID 110029594
N'-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919750
ethyl 4-[[N-ethyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111328265
N-ethyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxypiperidine-1-carboximidamide
CID 109426546
2-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-prop-2-enylguanidine
CID 136700060
2-[1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-4-yl]acetamide
CID 131963219
4-(2-amino-2-oxoethyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboxamide
CID 56814187
1-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidin-4-amine
CID 28712904
1-(4-methylpiperidin-1-yl)-2-(2-phenylbenzimidazol-1-yl)ethanone
CID 17000581
N'-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110919171
1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
CID 111034361

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide?
The IUPAC name of 4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide (CID 110919439) is 4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide is Cc1nc2ccccc2n1CC/N=C(\N)N1CCC(C)CC1.
What is the InChIKey of 4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide?
The InChIKey is SLMYNBKGJUJAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-13-7-10-21(11-8-13)17(18)19-9-12-22-14(2)20-15-5-3-4-6-16(15)22/h3-6,13H,7-12H2,1-2H3,(H2,18,19).
What are the key properties of 4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide?
4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide has a molecular weight of 299.42 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 110919439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).