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

C17H26IN5 — CID 110919438

IUPAC4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCc1nc2ccccc2n1CC/N=C(\N)N1CCC(C)CC1.I
InChIInChI=1S/C17H25N5.HI/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);1H
InChIKeySHXDEDQUDPCENM-UHFFFAOYSA-N
MW427.33 g/mol
LogP3.01
Rot. Bonds3

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

4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 110919438) has the molecular formula C17H26IN5 and a molecular weight of 427.33 g/mol. Its IUPAC name is 4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID110919438
Molecular FormulaC17H26IN5
Molecular Weight427.33 g/mol
Exact Mass427.12
IUPAC Name4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCc1nc2ccccc2n1CC/N=C(\N)N1CCC(C)CC1.I
InChIInChI=1S/C17H25N5.HI/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);1H
InChIKeySHXDEDQUDPCENM-UHFFFAOYSA-N
XLogP3.01
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.33
LogP ≤ 53.01
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide
CID 110919439
1-cyclopropyl-1-methyl-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
CID 110029594
ethyl 4-[[N-ethyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111328265
N'-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110919171
N'-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919750
N-ethyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxypiperidine-1-carboximidamide
CID 109426546
1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine;hydroiodide
CID 111034360
4-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 110920838
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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide;hydroiodide (CID 110919438) is 4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide;hydroiodide is Cc1nc2ccccc2n1CC/N=C(\N)N1CCC(C)CC1.I.
What is the InChIKey of 4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is SHXDEDQUDPCENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5.HI/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);1H.
What are the key properties of 4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 427.33 g/mol, XLogP of 3.01, 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;hydroiodide is sourced from PubChem (CID 110919438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).