5-[(tert-butylamino)methyl]-1,3-dimethylbenzimidazol-2-one

C14H21N3O — CID 6472192

IUPAC5-[(tert-butylamino)methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(CNC(C)(C)C)ccc21
InChIInChI=1S/C14H21N3O/c1-14(2,3)15-9-10-6-7-11-12(8-10)17(5)13(18)16(11)4/h6-8,15H,9H2,1-5H3
InChIKeyWDZVCIAQKGMNCG-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.77
Rot. Bonds2

About 5-[(tert-butylamino)methyl]-1,3-dimethylbenzimidazol-2-one

5-[(tert-butylamino)methyl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 6472192) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-1,3-dimethylbenzimidazol-2-one
PubChem CID6472192
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name5-[(tert-butylamino)methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(CNC(C)(C)C)ccc21
InChIInChI=1S/C14H21N3O/c1-14(2,3)15-9-10-6-7-11-12(8-10)17(5)13(18)16(11)4/h6-8,15H,9H2,1-5H3
InChIKeyWDZVCIAQKGMNCG-UHFFFAOYSA-N
XLogP1.77
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(cyclopentylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
CID 6472338
5-[(cycloheptylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
CID 6471863
1,3-dimethyl-5-[(pyrazin-2-ylamino)methyl]benzimidazol-2-one
CID 39841176
1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3-propylurea
CID 110775432
2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetic acid
CID 45157012
1,3-dimethyl-5-[[(1-phenylcyclopropyl)amino]methyl]benzimidazol-2-one
CID 46981978
5-[(1-hydroxybutan-2-ylamino)methyl]-1,3-dimethylbenzimidazol-2-one chloride
CID 53314625
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
2-chloro-5-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylamino]benzoic acid
CID 6502002
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]cyclohexanecarboxamide
CID 110785342
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-fluorobenzenesulfonamide
CID 110785413
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3,4,5-triethoxybenzamide
CID 5305578

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[(tert-butylamino)methyl]-1,3-dimethylbenzimidazol-2-one (CID 6472192) is 5-[(tert-butylamino)methyl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[(tert-butylamino)methyl]-1,3-dimethylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(CNC(C)(C)C)ccc21.
What is the InChIKey of 5-[(tert-butylamino)methyl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is WDZVCIAQKGMNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2,3)15-9-10-6-7-11-12(8-10)17(5)13(18)16(11)4/h6-8,15H,9H2,1-5H3.
What are the key properties of 5-[(tert-butylamino)methyl]-1,3-dimethylbenzimidazol-2-one?
5-[(tert-butylamino)methyl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 247.34 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 6472192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).