5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one

C11H15N3O — CID 43186831

IUPAC5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)C(N)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H15N3O/c1-6(2)10(12)7-3-4-8-9(5-7)14-11(15)13-8/h3-6,10H,12H2,1-2H3,(H2,13,14,15)
InChIKeyVBEGCRYFVDOBOT-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.51
Rot. Bonds2

About 5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one

5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 43186831) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID43186831
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)C(N)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H15N3O/c1-6(2)10(12)7-3-4-8-9(5-7)14-11(15)13-8/h3-6,10H,12H2,1-2H3,(H2,13,14,15)
InChIKeyVBEGCRYFVDOBOT-UHFFFAOYSA-N
XLogP1.51
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1,4-diamino-2-methylbutyl)-1,3-dihydrobenzimidazol-2-one
CID 116934066
5-(diaminomethyl)-1,3-dihydrobenzimidazol-2-one
CID 116939209
5-[1-(dimethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 116914662
5-(1-amino-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one
CID 43186846
5-(1-chloroethyl)-1,3-dihydrobenzimidazol-2-one
CID 61083756
5-(1-amino-3,4,4-trimethylpentyl)-1,3-dihydrobenzimidazol-2-one
CID 55260322
5-(2,2-difluoro-1-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one
CID 104632705
5-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 117283003
5-(1-amino-2-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one
CID 83530993
5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43200626
6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one
CID 43139983
5-[amino-(4-bromophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186832

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one (CID 43186831) is 5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one is CC(C)C(N)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is VBEGCRYFVDOBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-6(2)10(12)7-3-4-8-9(5-7)14-11(15)13-8/h3-6,10H,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one?
5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43186831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).