3-(3H-benzimidazol-5-yl)-4-[4-[4-(2-hydroxyethylamino)cyclohexyl]cyclohexa-1,3-dien-1-yl]-1,3-oxazolidin-2-one

C24H30N4O3 — CID 123749253

IUPAC3-(3H-benzimidazol-5-yl)-4-[4-[4-(2-hydroxyethylamino)cyclohexyl]cyclohexa-1,3-dien-1-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCC(C2=CC=C(C3CCC(NCCO)CC3)CC2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C24H30N4O3/c29-12-11-25-19-7-5-17(6-8-19)16-1-3-18(4-2-16)23-14-31-24(30)28(23)20-9-10-21-22(13-20)27-15-26-21/h1,3,9-10,13,15,17,19,23,25,29H,2,4-8,11-12,14H2,(H,26,27)
InChIKeyTXOKZQSPWDSQJC-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.68
Rot. Bonds6

About 3-(3H-benzimidazol-5-yl)-4-[4-[4-(2-hydroxyethylamino)cyclohexyl]cyclohexa-1,3-dien-1-yl]-1,3-oxazolidin-2-one

3-(3H-benzimidazol-5-yl)-4-[4-[4-(2-hydroxyethylamino)cyclohexyl]cyclohexa-1,3-dien-1-yl]-1,3-oxazolidin-2-one (PubChem CID 123749253) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-4-[4-[4-(2-hydroxyethylamino)cyclohexyl]cyclohexa-1,3-dien-1-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-4-[4-[4-(2-hydroxyethylamino)cyclohexyl]cyclohexa-1,3-dien-1-yl]-1,3-oxazolidin-2-one
PubChem CID123749253
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name3-(3H-benzimidazol-5-yl)-4-[4-[4-(2-hydroxyethylamino)cyclohexyl]cyclohexa-1,3-dien-1-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCC(C2=CC=C(C3CCC(NCCO)CC3)CC2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C24H30N4O3/c29-12-11-25-19-7-5-17(6-8-19)16-1-3-18(4-2-16)23-14-31-24(30)28(23)20-9-10-21-22(13-20)27-15-26-21/h1,3,9-10,13,15,17,19,23,25,29H,2,4-8,11-12,14H2,(H,26,27)
InChIKeyTXOKZQSPWDSQJC-UHFFFAOYSA-N
XLogP3.68
TPSA90.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3H-benzimidazol-5-yl)-4-[4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one
CID 58229114
3-(3H-benzimidazol-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one
CID 67036274
(4S)-3-(3H-benzimidazol-5-yl)-4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 50939051
3-(3H-benzimidazol-5-yl)-4-(3-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 67036307
3-(3H-benzimidazol-5-yl)-4-[2-fluoro-4-[4-(trifluoromethyl)cyclooctyl]phenyl]-1,3-oxazolidin-2-one
CID 172563059
(4S)-3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 90436321
3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 118692958
(4S)-3-(3H-benzimidazol-5-yl)-4-[2-fluoro-4-[1-(fluoromethyl)pyrazol-4-yl]phenyl]-1,3-oxazolidin-2-one
CID 172563086
3-(3H-benzimidazol-5-yl)-4-[4-(2-piperazin-1-ylethoxy)phenyl]-1,3-oxazolidin-2-one
CID 67117327
3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropropoxy)-2,3-difluorophenyl]-1,3-oxazolidin-2-one
CID 118692963
2-[(4S)-3-(3H-benzimidazol-5-yl)-2-oxo-1,3-oxazolidin-4-yl]-5-(2,2-difluoropropoxy)benzonitrile
CID 86279352
N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3H-benzimidazole-5-carboxamide
CID 91394335

Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-4-[4-[4-(2-hydroxyethylamino)cyclohexyl]cyclohexa-1,3-dien-1-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-4-[4-[4-(2-hydroxyethylamino)cyclohexyl]cyclohexa-1,3-dien-1-yl]-1,3-oxazolidin-2-one (CID 123749253) is 3-(3H-benzimidazol-5-yl)-4-[4-[4-(2-hydroxyethylamino)cyclohexyl]cyclohexa-1,3-dien-1-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-4-[4-[4-(2-hydroxyethylamino)cyclohexyl]cyclohexa-1,3-dien-1-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-4-[4-[4-(2-hydroxyethylamino)cyclohexyl]cyclohexa-1,3-dien-1-yl]-1,3-oxazolidin-2-one is O=C1OCC(C2=CC=C(C3CCC(NCCO)CC3)CC2)N1c1ccc2nc[nH]c2c1.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-4-[4-[4-(2-hydroxyethylamino)cyclohexyl]cyclohexa-1,3-dien-1-yl]-1,3-oxazolidin-2-one?
The InChIKey is TXOKZQSPWDSQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c29-12-11-25-19-7-5-17(6-8-19)16-1-3-18(4-2-16)23-14-31-24(30)28(23)20-9-10-21-22(13-20)27-15-26-21/h1,3,9-10,13,15,17,19,23,25,29H,2,4-8,11-12,14H2,(H,26,27).
What are the key properties of 3-(3H-benzimidazol-5-yl)-4-[4-[4-(2-hydroxyethylamino)cyclohexyl]cyclohexa-1,3-dien-1-yl]-1,3-oxazolidin-2-one?
3-(3H-benzimidazol-5-yl)-4-[4-[4-(2-hydroxyethylamino)cyclohexyl]cyclohexa-1,3-dien-1-yl]-1,3-oxazolidin-2-one has a molecular weight of 422.53 g/mol, XLogP of 3.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-benzimidazol-5-yl)-4-[4-[4-(2-hydroxyethylamino)cyclohexyl]cyclohexa-1,3-dien-1-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 123749253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).