2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(oxolan-2-ylmethyl)guanidine

C17H25N5O — CID 111137509

IUPAC2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(oxolan-2-ylmethyl)guanidine
SMILESC/N=C(/NCCn1c(C)nc2ccccc21)NCC1CCCO1
InChIInChI=1S/C17H25N5O/c1-13-21-15-7-3-4-8-16(15)22(13)10-9-19-17(18-2)20-12-14-6-5-11-23-14/h3-4,7-8,14H,5-6,9-12H2,1-2H3,(H2,18,19,20)
InChIKeyWAVYALMNANWWNI-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.69
Rot. Bonds5

About 2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(oxolan-2-ylmethyl)guanidine

2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(oxolan-2-ylmethyl)guanidine (PubChem CID 111137509) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(oxolan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(oxolan-2-ylmethyl)guanidine
PubChem CID111137509
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(oxolan-2-ylmethyl)guanidine
SMILESC/N=C(/NCCn1c(C)nc2ccccc21)NCC1CCCO1
InChIInChI=1S/C17H25N5O/c1-13-21-15-7-3-4-8-16(15)22(13)10-9-19-17(18-2)20-12-14-6-5-11-23-14/h3-4,7-8,14H,5-6,9-12H2,1-2H3,(H2,18,19,20)
InChIKeyWAVYALMNANWWNI-UHFFFAOYSA-N
XLogP1.69
TPSA63.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.69
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

2-methyl-1-[3-(2-methylbenzimidazol-1-yl)propyl]-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111138008
2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111139817
N,N-dimethyl-2-[[[3-(2-methylbenzimidazol-1-yl)propylamino]-(oxolan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 111651653
1-(oxolan-2-ylmethyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea
CID 46287181
2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(4-methylcyclohexyl)guanidine
CID 111256767
2-methyl-1-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111352595
2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(2-methylpropyl)guanidine;hydroiodide
CID 111178831
2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(oxolan-2-ylmethyl)guanidine
CID 119130029
N'-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109448328
2-methyl-1-[3-(oxolan-2-yl)propyl]benzimidazole
CID 79762204
1-(3-methoxypropyl)-2-methyl-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
CID 110975119
2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(4-methylpentyl)guanidine
CID 111942807

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(oxolan-2-ylmethyl)guanidine?
The IUPAC name of 2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(oxolan-2-ylmethyl)guanidine (CID 111137509) is 2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(oxolan-2-ylmethyl)guanidine.
What is the SMILES notation for 2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(oxolan-2-ylmethyl)guanidine?
The canonical SMILES for 2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(oxolan-2-ylmethyl)guanidine is C/N=C(/NCCn1c(C)nc2ccccc21)NCC1CCCO1.
What is the InChIKey of 2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(oxolan-2-ylmethyl)guanidine?
The InChIKey is WAVYALMNANWWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-13-21-15-7-3-4-8-16(15)22(13)10-9-19-17(18-2)20-12-14-6-5-11-23-14/h3-4,7-8,14H,5-6,9-12H2,1-2H3,(H2,18,19,20).
What are the key properties of 2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(oxolan-2-ylmethyl)guanidine?
2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(oxolan-2-ylmethyl)guanidine has a molecular weight of 315.42 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(oxolan-2-ylmethyl)guanidine is sourced from PubChem (CID 111137509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).