6-(2-amino-2-methylpropyl)-3-cyclopropyl-1H-benzimidazol-2-one

C14H19N3O — CID 117365661

IUPAC6-(2-amino-2-methylpropyl)-3-cyclopropyl-1H-benzimidazol-2-one
SMILESCC(C)(N)Cc1ccc2c(c1)[nH]c(=O)n2C1CC1
InChIInChI=1S/C14H19N3O/c1-14(2,15)8-9-3-6-12-11(7-9)16-13(18)17(12)10-4-5-10/h3,6-7,10H,4-5,8,15H2,1-2H3,(H,16,18)
InChIKeyGXDACQHRMFKSJB-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.94
Rot. Bonds3

About 6-(2-amino-2-methylpropyl)-3-cyclopropyl-1H-benzimidazol-2-one

6-(2-amino-2-methylpropyl)-3-cyclopropyl-1H-benzimidazol-2-one (PubChem CID 117365661) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 6-(2-amino-2-methylpropyl)-3-cyclopropyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-(2-amino-2-methylpropyl)-3-cyclopropyl-1H-benzimidazol-2-one
PubChem CID117365661
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name6-(2-amino-2-methylpropyl)-3-cyclopropyl-1H-benzimidazol-2-one
SMILESCC(C)(N)Cc1ccc2c(c1)[nH]c(=O)n2C1CC1
InChIInChI=1S/C14H19N3O/c1-14(2,15)8-9-3-6-12-11(7-9)16-13(18)17(12)10-4-5-10/h3,6-7,10H,4-5,8,15H2,1-2H3,(H,16,18)
InChIKeyGXDACQHRMFKSJB-UHFFFAOYSA-N
XLogP1.94
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-6-ethyl-1H-benzimidazol-2-one
CID 67559926
3-cyclopropyl-6-(hydroxymethyl)-1H-benzimidazol-2-one
CID 84672284
4-(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)butanoic acid
CID 117404661
3-(4-aminocyclohexyl)-6-chloro-1H-benzimidazol-2-one;hydrochloride
CID 118292535
methyl 1-cyclopropyl-2-oxo-3H-benzimidazole-5-carboxylate
CID 83415039
3-amino-2-(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)propanoic acid
CID 117407033
3-cyclopropyl-6-[2-(methylamino)acetyl]-1H-benzimidazol-2-one
CID 117365069
3-(1,1-dioxothian-4-yl)-6-hydroxy-1H-benzimidazol-2-one
CID 117207061
3-cyclopropyl-5,6-difluoro-1H-benzimidazol-2-one
CID 66693552
3-(4-aminocyclohexyl)-1H-benzimidazol-2-one
CID 23092402
6-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 83415288
6-tert-butyl-3-[1-(1H-pyrrol-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 141196676

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-2-methylpropyl)-3-cyclopropyl-1H-benzimidazol-2-one?
The IUPAC name of 6-(2-amino-2-methylpropyl)-3-cyclopropyl-1H-benzimidazol-2-one (CID 117365661) is 6-(2-amino-2-methylpropyl)-3-cyclopropyl-1H-benzimidazol-2-one.
What is the SMILES notation for 6-(2-amino-2-methylpropyl)-3-cyclopropyl-1H-benzimidazol-2-one?
The canonical SMILES for 6-(2-amino-2-methylpropyl)-3-cyclopropyl-1H-benzimidazol-2-one is CC(C)(N)Cc1ccc2c(c1)[nH]c(=O)n2C1CC1.
What is the InChIKey of 6-(2-amino-2-methylpropyl)-3-cyclopropyl-1H-benzimidazol-2-one?
The InChIKey is GXDACQHRMFKSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-14(2,15)8-9-3-6-12-11(7-9)16-13(18)17(12)10-4-5-10/h3,6-7,10H,4-5,8,15H2,1-2H3,(H,16,18).
What are the key properties of 6-(2-amino-2-methylpropyl)-3-cyclopropyl-1H-benzimidazol-2-one?
6-(2-amino-2-methylpropyl)-3-cyclopropyl-1H-benzimidazol-2-one has a molecular weight of 245.33 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-2-methylpropyl)-3-cyclopropyl-1H-benzimidazol-2-one is sourced from PubChem (CID 117365661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).