5-[2-(3-hydroxypropyl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one

C13H14N4O2 — CID 116878465

IUPAC5-[2-(3-hydroxypropyl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3cnc(CCCO)[nH]3)cc2[nH]1
InChIInChI=1S/C13H14N4O2/c18-5-1-2-12-14-7-11(15-12)8-3-4-9-10(6-8)17-13(19)16-9/h3-4,6-7,18H,1-2,5H2,(H,14,15)(H2,16,17,19)
InChIKeyPVZJSQNSEAYDIW-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.17
Rot. Bonds4

About 5-[2-(3-hydroxypropyl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one

5-[2-(3-hydroxypropyl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 116878465) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-[2-(3-hydroxypropyl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-(3-hydroxypropyl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one
PubChem CID116878465
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name5-[2-(3-hydroxypropyl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3cnc(CCCO)[nH]3)cc2[nH]1
InChIInChI=1S/C13H14N4O2/c18-5-1-2-12-14-7-11(15-12)8-3-4-9-10(6-8)17-13(19)16-9/h3-4,6-7,18H,1-2,5H2,(H,14,15)(H2,16,17,19)
InChIKeyPVZJSQNSEAYDIW-UHFFFAOYSA-N
XLogP1.17
TPSA97.56 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(2-sulfanylethyl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one
CID 116879340
3-[5-(4-aminophenyl)-1H-imidazol-2-yl]propan-1-ol
CID 155232141
3-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]propan-1-ol
CID 116878411
5-[2-(2-hydroxypropan-2-yl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one
CID 116881411
3-(5-pyridin-2-yl-1H-imidazol-2-yl)propan-1-ol
CID 116878481
3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-ol
CID 116878459
5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651162
5-[2-(2-sulfanylethyl)-1H-imidazol-5-yl]-3H-1,3-benzoxazol-2-one
CID 116879346
5-[2-(2-hydroxyethyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 116867771
3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine
CID 43650814
3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-ol
CID 116878448
7-[5-(6-methoxynaphthalen-2-yl)-1H-imidazol-2-yl]heptanamide
CID 90149185

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-hydroxypropyl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-(3-hydroxypropyl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one (CID 116878465) is 5-[2-(3-hydroxypropyl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-(3-hydroxypropyl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-(3-hydroxypropyl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(-c3cnc(CCCO)[nH]3)cc2[nH]1.
What is the InChIKey of 5-[2-(3-hydroxypropyl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is PVZJSQNSEAYDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c18-5-1-2-12-14-7-11(15-12)8-3-4-9-10(6-8)17-13(19)16-9/h3-4,6-7,18H,1-2,5H2,(H,14,15)(H2,16,17,19).
What are the key properties of 5-[2-(3-hydroxypropyl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one?
5-[2-(3-hydroxypropyl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 258.28 g/mol, XLogP of 1.17, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-hydroxypropyl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 116878465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).