5-[[4-cyclopropyl-5-(oxolan-3-yl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one

C20H24N4O2 — CID 155460686

IUPAC5-[[4-cyclopropyl-5-(oxolan-3-yl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(Cn3cnc(C4CC4)c3C3CCOC3)ccc21
InChIInChI=1S/C20H24N4O2/c1-22-16-6-3-13(9-17(16)23(2)20(22)25)10-24-12-21-18(14-4-5-14)19(24)15-7-8-26-11-15/h3,6,9,12,14-15H,4-5,7-8,10-11H2,1-2H3
InChIKeyIUILNZAVWUOCPC-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.50
Rot. Bonds4

About 5-[[4-cyclopropyl-5-(oxolan-3-yl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one

5-[[4-cyclopropyl-5-(oxolan-3-yl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 155460686) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 5-[[4-cyclopropyl-5-(oxolan-3-yl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[[4-cyclopropyl-5-(oxolan-3-yl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one
PubChem CID155460686
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name5-[[4-cyclopropyl-5-(oxolan-3-yl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(Cn3cnc(C4CC4)c3C3CCOC3)ccc21
InChIInChI=1S/C20H24N4O2/c1-22-16-6-3-13(9-17(16)23(2)20(22)25)10-24-12-21-18(14-4-5-14)19(24)15-7-8-26-11-15/h3,6,9,12,14-15H,4-5,7-8,10-11H2,1-2H3
InChIKeyIUILNZAVWUOCPC-UHFFFAOYSA-N
XLogP2.50
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[5-cyclopropyl-4-(oxolan-3-yl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one
CID 155460685
5-[[5-cyclopropyl-4-(3,5-difluorophenyl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one
CID 155460769
5-[[4-cyclopropyl-5-(2,4-difluorophenyl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one
CID 155460766
5-[[4-cyclopropyl-5-(2,6-difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-3-methyl-1,3-benzoxazol-2-one
CID 155460389
5-[(5-bromobenzimidazol-1-yl)methyl]-1,3-dimethylbenzimidazol-2-one
CID 155460552
3-[[5-[(3R)-oxolan-3-yl]-4-phenylimidazol-1-yl]methyl]benzoic acid
CID 97136318
5-[(cyclopentylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
CID 6472338
5-[(cycloheptylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
CID 6471863
5-[(tert-butylamino)methyl]-1,3-dimethylbenzimidazol-2-one
CID 6472192
[5-cyclopropyl-4-(oxolan-3-yl)imidazol-1-yl] thiohypofluorite
CID 155571475
5-(oxolan-3-yl)-4-phenyl-1-(2-thiophen-2-ylethyl)imidazole
CID 50953113
5-[[3-(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one
CID 46960718

Frequently Asked Questions

What is the IUPAC name of 5-[[4-cyclopropyl-5-(oxolan-3-yl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[[4-cyclopropyl-5-(oxolan-3-yl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one (CID 155460686) is 5-[[4-cyclopropyl-5-(oxolan-3-yl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[[4-cyclopropyl-5-(oxolan-3-yl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[[4-cyclopropyl-5-(oxolan-3-yl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(Cn3cnc(C4CC4)c3C3CCOC3)ccc21.
What is the InChIKey of 5-[[4-cyclopropyl-5-(oxolan-3-yl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is IUILNZAVWUOCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-22-16-6-3-13(9-17(16)23(2)20(22)25)10-24-12-21-18(14-4-5-14)19(24)15-7-8-26-11-15/h3,6,9,12,14-15H,4-5,7-8,10-11H2,1-2H3.
What are the key properties of 5-[[4-cyclopropyl-5-(oxolan-3-yl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one?
5-[[4-cyclopropyl-5-(oxolan-3-yl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 352.44 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-cyclopropyl-5-(oxolan-3-yl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 155460686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).