5-[4-amino-1-(dimethylamino)-2-methylbutyl]-1,3-dihydrobenzimidazol-2-one

C14H22N4O — CID 116905392

IUPAC5-[4-amino-1-(dimethylamino)-2-methylbutyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(CCN)C(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C
InChIInChI=1S/C14H22N4O/c1-9(6-7-15)13(18(2)3)10-4-5-11-12(8-10)17-14(19)16-11/h4-5,8-9,13H,6-7,15H2,1-3H3,(H2,16,17,19)
InChIKeyKIOMPTDIYYRMMH-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.44
Rot. Bonds5

About 5-[4-amino-1-(dimethylamino)-2-methylbutyl]-1,3-dihydrobenzimidazol-2-one

5-[4-amino-1-(dimethylamino)-2-methylbutyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 116905392) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-[4-amino-1-(dimethylamino)-2-methylbutyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[4-amino-1-(dimethylamino)-2-methylbutyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID116905392
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name5-[4-amino-1-(dimethylamino)-2-methylbutyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(CCN)C(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C
InChIInChI=1S/C14H22N4O/c1-9(6-7-15)13(18(2)3)10-4-5-11-12(8-10)17-14(19)16-11/h4-5,8-9,13H,6-7,15H2,1-3H3,(H2,16,17,19)
InChIKeyKIOMPTDIYYRMMH-UHFFFAOYSA-N
XLogP1.44
TPSA77.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1,4-diamino-2-methylbutyl)-1,3-dihydrobenzimidazol-2-one
CID 116934066
5-[1-(dimethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 116914662
5-[1-(dimethylamino)-2-sulfanylethyl]-1,3-dihydrobenzimidazol-2-one
CID 116908844
5-[1-(3-aminopropylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 60888561
5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 43186831
N,N,2-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine
CID 116905378
5-(1-amino-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one
CID 43186846
5-(1-chloroethyl)-1,3-dihydrobenzimidazol-2-one
CID 61083756
5-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 117283003
5-(diaminomethyl)-1,3-dihydrobenzimidazol-2-one
CID 116939209
5-[1-(dimethylamino)-3-oxobutyl]-1,3-dihydrobenzimidazol-2-one
CID 116910558
5-[(4-amino-2-hydroxybutyl)-methylamino]-1,3-dihydrobenzimidazol-2-one
CID 117039136

Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-1-(dimethylamino)-2-methylbutyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[4-amino-1-(dimethylamino)-2-methylbutyl]-1,3-dihydrobenzimidazol-2-one (CID 116905392) is 5-[4-amino-1-(dimethylamino)-2-methylbutyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[4-amino-1-(dimethylamino)-2-methylbutyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[4-amino-1-(dimethylamino)-2-methylbutyl]-1,3-dihydrobenzimidazol-2-one is CC(CCN)C(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C.
What is the InChIKey of 5-[4-amino-1-(dimethylamino)-2-methylbutyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is KIOMPTDIYYRMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-9(6-7-15)13(18(2)3)10-4-5-11-12(8-10)17-14(19)16-11/h4-5,8-9,13H,6-7,15H2,1-3H3,(H2,16,17,19).
What are the key properties of 5-[4-amino-1-(dimethylamino)-2-methylbutyl]-1,3-dihydrobenzimidazol-2-one?
5-[4-amino-1-(dimethylamino)-2-methylbutyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 262.36 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-amino-1-(dimethylamino)-2-methylbutyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 116905392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).