2-[3-(benzimidazol-1-yl)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine

C19H29N5O — CID 111189338

IUPAC2-[3-(benzimidazol-1-yl)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
SMILESCCN/C(=N\CCCn1cnc2ccccc21)NC1CCC(O)CC1
InChIInChI=1S/C19H29N5O/c1-2-20-19(23-15-8-10-16(25)11-9-15)21-12-5-13-24-14-22-17-6-3-4-7-18(17)24/h3-4,6-7,14-16,25H,2,5,8-13H2,1H3,(H2,20,21,23)
InChIKeySTRGOROXYJGYJA-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.29
Rot. Bonds6

About 2-[3-(benzimidazol-1-yl)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine

2-[3-(benzimidazol-1-yl)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine (PubChem CID 111189338) has the molecular formula C19H29N5O and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-[3-(benzimidazol-1-yl)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine.

Molecular Properties

Compound Name2-[3-(benzimidazol-1-yl)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
PubChem CID111189338
Molecular FormulaC19H29N5O
Molecular Weight343.47 g/mol
Exact Mass343.24
IUPAC Name2-[3-(benzimidazol-1-yl)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
SMILESCCN/C(=N\CCCn1cnc2ccccc21)NC1CCC(O)CC1
InChIInChI=1S/C19H29N5O/c1-2-20-19(23-15-8-10-16(25)11-9-15)21-12-5-13-24-14-22-17-6-3-4-7-18(17)24/h3-4,6-7,14-16,25H,2,5,8-13H2,1H3,(H2,20,21,23)
InChIKeySTRGOROXYJGYJA-UHFFFAOYSA-N
XLogP2.29
TPSA74.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111189244
2-[3-(benzimidazol-1-yl)propyl]-1-(1,1-dioxothiolan-3-yl)-3-ethylguanidine;hydroiodide
CID 111142752
2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111189243
2-[3-(benzimidazol-1-yl)propyl]-1-ethyl-3-(3-ethylsulfinylcyclohexyl)guanidine;hydroiodide
CID 109438636
2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-cyclopropyl-3-ethylguanidine
CID 110988468
1-cyclopentyl-3-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine;hydroiodide
CID 110991938
N'-[3-(benzimidazol-1-yl)propyl]-N-ethyl-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111209996
N'-[3-(benzimidazol-1-yl)propyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110956388
2-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111979415
2-[3-(benzimidazol-1-yl)propyl]-1-ethyl-3-[2-(4-fluorophenyl)ethyl]guanidine
CID 111228891
1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111190517
1-ethyl-3-(4-hydroxycyclohexyl)-2-[4-(pyridin-2-ylamino)butyl]guanidine
CID 111189328

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzimidazol-1-yl)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine?
The IUPAC name of 2-[3-(benzimidazol-1-yl)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine (CID 111189338) is 2-[3-(benzimidazol-1-yl)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine.
What is the SMILES notation for 2-[3-(benzimidazol-1-yl)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine?
The canonical SMILES for 2-[3-(benzimidazol-1-yl)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine is CCN/C(=N\CCCn1cnc2ccccc21)NC1CCC(O)CC1.
What is the InChIKey of 2-[3-(benzimidazol-1-yl)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine?
The InChIKey is STRGOROXYJGYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-2-20-19(23-15-8-10-16(25)11-9-15)21-12-5-13-24-14-22-17-6-3-4-7-18(17)24/h3-4,6-7,14-16,25H,2,5,8-13H2,1H3,(H2,20,21,23).
What are the key properties of 2-[3-(benzimidazol-1-yl)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine?
2-[3-(benzimidazol-1-yl)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine has a molecular weight of 343.47 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzimidazol-1-yl)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine is sourced from PubChem (CID 111189338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).