2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine

C18H23N5S — CID 111703049

IUPAC2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine
SMILESC/N=C(/NCc1nc2ccccc2n1C)NCC(C)c1ccsc1
InChIInChI=1S/C18H23N5S/c1-13(14-8-9-24-12-14)10-20-18(19-2)21-11-17-22-15-6-4-5-7-16(15)23(17)3/h4-9,12-13H,10-11H2,1-3H3,(H2,19,20,21)
InChIKeyKOCNBFKOPFSASF-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.10
Rot. Bonds5

About 2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine

2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine (PubChem CID 111703049) has the molecular formula C18H23N5S and a molecular weight of 341.48 g/mol. Its IUPAC name is 2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine
PubChem CID111703049
Molecular FormulaC18H23N5S
Molecular Weight341.48 g/mol
Exact Mass341.17
IUPAC Name2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine
SMILESC/N=C(/NCc1nc2ccccc2n1C)NCC(C)c1ccsc1
InChIInChI=1S/C18H23N5S/c1-13(14-8-9-24-12-14)10-20-18(19-2)21-11-17-22-15-6-4-5-7-16(15)23(17)3/h4-9,12-13H,10-11H2,1-3H3,(H2,19,20,21)
InChIKeyKOCNBFKOPFSASF-UHFFFAOYSA-N
XLogP3.10
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.10
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

1-benzyl-2-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]guanidine;hydroiodide
CID 110954297
1-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]guanidine
CID 111248391
1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]guanidine
CID 111011147
2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-propylguanidine;hydroiodide
CID 111227832
1-[(2-chlorophenyl)methyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine
CID 111703099
1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine
CID 111703438
1-ethyl-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine
CID 111702778
1-(3-methoxypropyl)-2-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]guanidine
CID 110975947
2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111360546
1-(2-ethoxyethyl)-2-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]guanidine
CID 111894195
2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111952181
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]guanidine
CID 111217547

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine?
The IUPAC name of 2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine (CID 111703049) is 2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine.
What is the SMILES notation for 2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine?
The canonical SMILES for 2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine is C/N=C(/NCc1nc2ccccc2n1C)NCC(C)c1ccsc1.
What is the InChIKey of 2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine?
The InChIKey is KOCNBFKOPFSASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5S/c1-13(14-8-9-24-12-14)10-20-18(19-2)21-11-17-22-15-6-4-5-7-16(15)23(17)3/h4-9,12-13H,10-11H2,1-3H3,(H2,19,20,21).
What are the key properties of 2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine?
2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine has a molecular weight of 341.48 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine is sourced from PubChem (CID 111703049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).