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

C12H17N3O — CID 43186846

IUPAC5-(1-amino-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)CC(N)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C12H17N3O/c1-7(2)5-9(13)8-3-4-10-11(6-8)15-12(16)14-10/h3-4,6-7,9H,5,13H2,1-2H3,(H2,14,15,16)
InChIKeyFJORUOPYBUNIAA-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.90
Rot. Bonds3

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

5-(1-amino-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 43186846) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-(1-amino-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(1-amino-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID43186846
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name5-(1-amino-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)CC(N)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C12H17N3O/c1-7(2)5-9(13)8-3-4-10-11(6-8)15-12(16)14-10/h3-4,6-7,9H,5,13H2,1-2H3,(H2,14,15,16)
InChIKeyFJORUOPYBUNIAA-UHFFFAOYSA-N
XLogP1.90
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(1-amino-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one (CID 43186846) is 5-(1-amino-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(1-amino-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(1-amino-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one is CC(C)CC(N)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-(1-amino-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is FJORUOPYBUNIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-7(2)5-9(13)8-3-4-10-11(6-8)15-12(16)14-10/h3-4,6-7,9H,5,13H2,1-2H3,(H2,14,15,16).
What are the key properties of 5-(1-amino-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one?
5-(1-amino-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 219.29 g/mol, XLogP of 1.90, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43186846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).