(1S)-1-[5-[1-(2-hydroxyethyl)benzimidazol-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol

C18H23N5O2 — CID 99974750

IUPAC(1S)-1-[5-[1-(2-hydroxyethyl)benzimidazol-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
SMILESC[C@H](O)c1cc2n(n1)CCCN(c1nc3ccccc3n1CCO)C2
InChIInChI=1S/C18H23N5O2/c1-13(25)16-11-14-12-21(7-4-8-23(14)20-16)18-19-15-5-2-3-6-17(15)22(18)9-10-24/h2-3,5-6,11,13,24-25H,4,7-10,12H2,1H3/t13-/m0/s1
InChIKeyIMIKRNBXZDPXIU-ZDUSSCGKSA-N
MW341.42 g/mol
LogP1.69
Rot. Bonds4

About (1S)-1-[5-[1-(2-hydroxyethyl)benzimidazol-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol

(1S)-1-[5-[1-(2-hydroxyethyl)benzimidazol-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol (PubChem CID 99974750) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is (1S)-1-[5-[1-(2-hydroxyethyl)benzimidazol-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-[1-(2-hydroxyethyl)benzimidazol-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
PubChem CID99974750
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name(1S)-1-[5-[1-(2-hydroxyethyl)benzimidazol-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
SMILESC[C@H](O)c1cc2n(n1)CCCN(c1nc3ccccc3n1CCO)C2
InChIInChI=1S/C18H23N5O2/c1-13(25)16-11-14-12-21(7-4-8-23(14)20-16)18-19-15-5-2-3-6-17(15)22(18)9-10-24/h2-3,5-6,11,13,24-25H,4,7-10,12H2,1H3/t13-/m0/s1
InChIKeyIMIKRNBXZDPXIU-ZDUSSCGKSA-N
XLogP1.69
TPSA79.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(1R)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
CID 99974340
(1S)-1-[5-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
CID 99975614
2-[2-(1,4-diazepan-1-yl)benzimidazol-1-yl]ethanol;hydroiodide
CID 86583903
2-(2-morpholin-4-ylbenzimidazol-1-yl)ethanol
CID 46784646
(1S)-1-[5-[2-(6-methyl-2-pyridinyl)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
CID 99975863
1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(2-methylindol-1-yl)propan-1-one
CID 91828367
9-hydroxy-2-[[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 99990684
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
2-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]benzimidazol-1-yl]ethanol
CID 72881394
1-[5-(2,6-dimethoxypyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol
CID 91774898
8-[1-(2-ethoxyethyl)benzimidazol-2-yl]-8-aza-5-azoniaspiro[4.6]undecane
CID 10812202
3-[2-[2-(1-hydroxypropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1,3-benzoxazol-2-one
CID 91760764

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[1-(2-hydroxyethyl)benzimidazol-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol?
The IUPAC name of (1S)-1-[5-[1-(2-hydroxyethyl)benzimidazol-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol (CID 99974750) is (1S)-1-[5-[1-(2-hydroxyethyl)benzimidazol-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[5-[1-(2-hydroxyethyl)benzimidazol-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol?
The canonical SMILES for (1S)-1-[5-[1-(2-hydroxyethyl)benzimidazol-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol is C[C@H](O)c1cc2n(n1)CCCN(c1nc3ccccc3n1CCO)C2.
What is the InChIKey of (1S)-1-[5-[1-(2-hydroxyethyl)benzimidazol-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol?
The InChIKey is IMIKRNBXZDPXIU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13(25)16-11-14-12-21(7-4-8-23(14)20-16)18-19-15-5-2-3-6-17(15)22(18)9-10-24/h2-3,5-6,11,13,24-25H,4,7-10,12H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-1-[5-[1-(2-hydroxyethyl)benzimidazol-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol?
(1S)-1-[5-[1-(2-hydroxyethyl)benzimidazol-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol has a molecular weight of 341.42 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[1-(2-hydroxyethyl)benzimidazol-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol is sourced from PubChem (CID 99974750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).