[3-(benzimidazol-1-yl)-1-(propylamino)cyclopentyl]methanol

C16H23N3O — CID 79647543

IUPAC[3-(benzimidazol-1-yl)-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(n2cnc3ccccc32)C1
InChIInChI=1S/C16H23N3O/c1-2-9-18-16(11-20)8-7-13(10-16)19-12-17-14-5-3-4-6-15(14)19/h3-6,12-13,18,20H,2,7-11H2,1H3
InChIKeyHFQOLWVEXTVKPQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.49
Rot. Bonds5

About [3-(benzimidazol-1-yl)-1-(propylamino)cyclopentyl]methanol

[3-(benzimidazol-1-yl)-1-(propylamino)cyclopentyl]methanol (PubChem CID 79647543) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is [3-(benzimidazol-1-yl)-1-(propylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-(benzimidazol-1-yl)-1-(propylamino)cyclopentyl]methanol
PubChem CID79647543
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name[3-(benzimidazol-1-yl)-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(n2cnc3ccccc32)C1
InChIInChI=1S/C16H23N3O/c1-2-9-18-16(11-20)8-7-13(10-16)19-12-17-14-5-3-4-6-15(14)19/h3-6,12-13,18,20H,2,7-11H2,1H3
InChIKeyHFQOLWVEXTVKPQ-UHFFFAOYSA-N
XLogP2.49
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-indazol-1-yl-1-(propylamino)cyclohexyl]methanol
CID 79638462
3-(benzimidazol-1-yl)-N-propylcyclopentan-1-amine
CID 79644048
4-(benzimidazol-1-yl)-N-propylpiperidine-1-carbothioamide
CID 3219909
3-(benzimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile
CID 79638590
[3-phenoxy-1-(propylamino)cyclopentyl]methanol
CID 79645048
[3-(4-tert-butylpiperazin-1-yl)-1-(propylamino)cyclopentyl]methanol
CID 79647288
methyl 1-amino-3-(benzimidazol-1-yl)cyclohexane-1-carboxylate
CID 79642064
[3-(2-phenoxyethoxy)-1-(propylamino)cyclopentyl]methanol
CID 79646008
3-(benzimidazol-1-yl)-N-methylcyclopentan-1-amine
CID 79643579
[1-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclopentyl]methanol
CID 79647005
[3-(4-methyl-1,4-diazepan-1-yl)-1-(propylamino)cyclopentyl]methanol
CID 79657020
[3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol
CID 79641286

Frequently Asked Questions

What is the IUPAC name of [3-(benzimidazol-1-yl)-1-(propylamino)cyclopentyl]methanol?
The IUPAC name of [3-(benzimidazol-1-yl)-1-(propylamino)cyclopentyl]methanol (CID 79647543) is [3-(benzimidazol-1-yl)-1-(propylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-(benzimidazol-1-yl)-1-(propylamino)cyclopentyl]methanol?
The canonical SMILES for [3-(benzimidazol-1-yl)-1-(propylamino)cyclopentyl]methanol is CCCNC1(CO)CCC(n2cnc3ccccc32)C1.
What is the InChIKey of [3-(benzimidazol-1-yl)-1-(propylamino)cyclopentyl]methanol?
The InChIKey is HFQOLWVEXTVKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-9-18-16(11-20)8-7-13(10-16)19-12-17-14-5-3-4-6-15(14)19/h3-6,12-13,18,20H,2,7-11H2,1H3.
What are the key properties of [3-(benzimidazol-1-yl)-1-(propylamino)cyclopentyl]methanol?
[3-(benzimidazol-1-yl)-1-(propylamino)cyclopentyl]methanol has a molecular weight of 273.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzimidazol-1-yl)-1-(propylamino)cyclopentyl]methanol is sourced from PubChem (CID 79647543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).