5-(1,4-diamino-2-methylbutyl)-1,3-dihydrobenzimidazol-2-one

C12H18N4O — CID 116934066

IUPAC5-(1,4-diamino-2-methylbutyl)-1,3-dihydrobenzimidazol-2-one
SMILESCC(CCN)C(N)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C12H18N4O/c1-7(4-5-13)11(14)8-2-3-9-10(6-8)16-12(17)15-9/h2-3,6-7,11H,4-5,13-14H2,1H3,(H2,15,16,17)
InChIKeyVJXYLCNLZNFZRD-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.84
Rot. Bonds4

About 5-(1,4-diamino-2-methylbutyl)-1,3-dihydrobenzimidazol-2-one

5-(1,4-diamino-2-methylbutyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 116934066) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-(1,4-diamino-2-methylbutyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(1,4-diamino-2-methylbutyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID116934066
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name5-(1,4-diamino-2-methylbutyl)-1,3-dihydrobenzimidazol-2-one
SMILESCC(CCN)C(N)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C12H18N4O/c1-7(4-5-13)11(14)8-2-3-9-10(6-8)16-12(17)15-9/h2-3,6-7,11H,4-5,13-14H2,1H3,(H2,15,16,17)
InChIKeyVJXYLCNLZNFZRD-UHFFFAOYSA-N
XLogP0.84
TPSA100.69 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-amino-1-(dimethylamino)-2-methylbutyl]-1,3-dihydrobenzimidazol-2-one
CID 116905392
5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 43186831
5-(1-amino-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one
CID 43186846
5-(diaminomethyl)-1,3-dihydrobenzimidazol-2-one
CID 116939209
5-[1-(3-aminopropylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 60888561
5-[1-(dimethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 116914662
5-(1-chloroethyl)-1,3-dihydrobenzimidazol-2-one
CID 61083756
5-(1-amino-2-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one
CID 83530993
5-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 117283003
5-(1-amino-3,4,4-trimethylpentyl)-1,3-dihydrobenzimidazol-2-one
CID 55260322
4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid
CID 115420745
(2R)-2-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]pentanamide
CID 103794953

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-diamino-2-methylbutyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(1,4-diamino-2-methylbutyl)-1,3-dihydrobenzimidazol-2-one (CID 116934066) is 5-(1,4-diamino-2-methylbutyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(1,4-diamino-2-methylbutyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(1,4-diamino-2-methylbutyl)-1,3-dihydrobenzimidazol-2-one is CC(CCN)C(N)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-(1,4-diamino-2-methylbutyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is VJXYLCNLZNFZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-7(4-5-13)11(14)8-2-3-9-10(6-8)16-12(17)15-9/h2-3,6-7,11H,4-5,13-14H2,1H3,(H2,15,16,17).
What are the key properties of 5-(1,4-diamino-2-methylbutyl)-1,3-dihydrobenzimidazol-2-one?
5-(1,4-diamino-2-methylbutyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.84, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-diamino-2-methylbutyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 116934066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).