1-cyclopropyl-2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol

C16H23N3O — CID 63299001

IUPAC1-cyclopropyl-2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol
SMILESCCCn1c(CNCC(O)C2CC2)nc2ccccc21
InChIInChI=1S/C16H23N3O/c1-2-9-19-14-6-4-3-5-13(14)18-16(19)11-17-10-15(20)12-7-8-12/h3-6,12,15,17,20H,2,7-11H2,1H3
InChIKeySAMNWHHYXRGQSR-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.31
Rot. Bonds7

About 1-cyclopropyl-2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol

1-cyclopropyl-2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol (PubChem CID 63299001) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol
PubChem CID63299001
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-cyclopropyl-2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol
SMILESCCCn1c(CNCC(O)C2CC2)nc2ccccc21
InChIInChI=1S/C16H23N3O/c1-2-9-19-14-6-4-3-5-13(14)18-16(19)11-17-10-15(20)12-7-8-12/h3-6,12,15,17,20H,2,7-11H2,1H3
InChIKeySAMNWHHYXRGQSR-UHFFFAOYSA-N
XLogP2.31
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol
CID 54905664
1-cyclopropyl-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79754023
3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]butan-1-amine
CID 54906185
1-(3-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol
CID 115818146
1-(6-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol
CID 115818131
3-[(1-methylbenzimidazol-2-yl)methylamino]propane-1,2-diol
CID 66176732
1-cyclobutyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 103170121
N-[(1-methylcyclobutyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
CID 103735922
1-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 43655424
2-(oxolan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine
CID 61034574
3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine
CID 114544004
4-N-[(1-propylbenzimidazol-2-yl)methyl]cyclohexane-1,4-diamine
CID 62319804

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol?
The IUPAC name of 1-cyclopropyl-2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol (CID 63299001) is 1-cyclopropyl-2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol is CCCn1c(CNCC(O)C2CC2)nc2ccccc21.
What is the InChIKey of 1-cyclopropyl-2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol?
The InChIKey is SAMNWHHYXRGQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-9-19-14-6-4-3-5-13(14)18-16(19)11-17-10-15(20)12-7-8-12/h3-6,12,15,17,20H,2,7-11H2,1H3.
What are the key properties of 1-cyclopropyl-2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol?
1-cyclopropyl-2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol has a molecular weight of 273.38 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol is sourced from PubChem (CID 63299001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).