3-[2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethyl]imidazolidine-2,4-dione

C15H19N5O2 — CID 71923300

IUPAC3-[2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethyl]imidazolidine-2,4-dione
SMILESCN(CCN1C(=O)CNC1=O)Cc1nc2ccccc2n1C
InChIInChI=1S/C15H19N5O2/c1-18(7-8-20-14(21)9-16-15(20)22)10-13-17-11-5-3-4-6-12(11)19(13)2/h3-6H,7-10H2,1-2H3,(H,16,22)
InChIKeyLIYVUWRBDWNIBR-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.56
Rot. Bonds5

About 3-[2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethyl]imidazolidine-2,4-dione

3-[2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethyl]imidazolidine-2,4-dione (PubChem CID 71923300) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-[2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethyl]imidazolidine-2,4-dione
PubChem CID71923300
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name3-[2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethyl]imidazolidine-2,4-dione
SMILESCN(CCN1C(=O)CNC1=O)Cc1nc2ccccc2n1C
InChIInChI=1S/C15H19N5O2/c1-18(7-8-20-14(21)9-16-15(20)22)10-13-17-11-5-3-4-6-12(11)19(13)2/h3-6H,7-10H2,1-2H3,(H,16,22)
InChIKeyLIYVUWRBDWNIBR-UHFFFAOYSA-N
XLogP0.56
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridin-3-ylmethanamine
CID 71864058
2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetic acid
CID 101152444
copper;N,N-bis[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfanylethanamine;chloride;perchlorate
CID 139186307
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-oxopiperazin-1-yl)acetamide;dihydrochloride
CID 122148337
2-(iodomethyl)-1-methylbenzimidazole
CID 20803299
1-cyclopropyl-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 56787202
(E)-N-methyl-N,N',N'-tris[(1-methylbenzimidazol-2-yl)methyl]ethene-1,2-diamine
CID 22114991
methyl 2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetate
CID 86237797
3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]imidazolidine-2,4-dione
CID 112734238
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 102222312
4-(methanesulfonamido)-N-methyl-N-[2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethyl]benzenesulfonamide
CID 19876802
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881

Frequently Asked Questions

What is the IUPAC name of 3-[2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethyl]imidazolidine-2,4-dione (CID 71923300) is 3-[2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethyl]imidazolidine-2,4-dione is CN(CCN1C(=O)CNC1=O)Cc1nc2ccccc2n1C.
What is the InChIKey of 3-[2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethyl]imidazolidine-2,4-dione?
The InChIKey is LIYVUWRBDWNIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-18(7-8-20-14(21)9-16-15(20)22)10-13-17-11-5-3-4-6-12(11)19(13)2/h3-6H,7-10H2,1-2H3,(H,16,22).
What are the key properties of 3-[2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethyl]imidazolidine-2,4-dione?
3-[2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethyl]imidazolidine-2,4-dione has a molecular weight of 301.35 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 71923300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).