5-[4-amino-3,3-dimethyl-1-(methylamino)butyl]-1,3-dihydrobenzimidazol-2-one

C14H22N4O — CID 116950122

IUPAC5-[4-amino-3,3-dimethyl-1-(methylamino)butyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNC(CC(C)(C)CN)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H22N4O/c1-14(2,8-15)7-12(16-3)9-4-5-10-11(6-9)18-13(19)17-10/h4-6,12,16H,7-8,15H2,1-3H3,(H2,17,18,19)
InChIKeyIOSCRYPLDOBJBD-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.49
Rot. Bonds5

About 5-[4-amino-3,3-dimethyl-1-(methylamino)butyl]-1,3-dihydrobenzimidazol-2-one

5-[4-amino-3,3-dimethyl-1-(methylamino)butyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 116950122) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-[4-amino-3,3-dimethyl-1-(methylamino)butyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[4-amino-3,3-dimethyl-1-(methylamino)butyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID116950122
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name5-[4-amino-3,3-dimethyl-1-(methylamino)butyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNC(CC(C)(C)CN)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H22N4O/c1-14(2,8-15)7-12(16-3)9-4-5-10-11(6-9)18-13(19)17-10/h4-6,12,16H,7-8,15H2,1-3H3,(H2,17,18,19)
InChIKeyIOSCRYPLDOBJBD-UHFFFAOYSA-N
XLogP1.49
TPSA86.70 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one
CID 43483534
N,3,3-trimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine
CID 116950062
5-[2-(2-fluorophenyl)-1-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43483587
5-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 20613953
5-amino-3,3-dimethyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid
CID 62933664
6-[3-methyl-1-(methylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43483374
1-(4-ethylsulfanylphenyl)-N,3,3-trimethylbutane-1,4-diamine
CID 116950118
N,3,3-trimethyl-1-(4-propylphenyl)butane-1,4-diamine
CID 116950082
4-amino-2,2-dimethyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 65298571
5-(1,4-diamino-2-methylbutyl)-1,3-dihydrobenzimidazol-2-one
CID 116934066
5-[4-amino-1-(dimethylamino)-2-methylbutyl]-1,3-dihydrobenzimidazol-2-one
CID 116905392
5-(diaminomethyl)-1,3-dihydrobenzimidazol-2-one
CID 116939209

Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-3,3-dimethyl-1-(methylamino)butyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[4-amino-3,3-dimethyl-1-(methylamino)butyl]-1,3-dihydrobenzimidazol-2-one (CID 116950122) is 5-[4-amino-3,3-dimethyl-1-(methylamino)butyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[4-amino-3,3-dimethyl-1-(methylamino)butyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[4-amino-3,3-dimethyl-1-(methylamino)butyl]-1,3-dihydrobenzimidazol-2-one is CNC(CC(C)(C)CN)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[4-amino-3,3-dimethyl-1-(methylamino)butyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is IOSCRYPLDOBJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-14(2,8-15)7-12(16-3)9-4-5-10-11(6-9)18-13(19)17-10/h4-6,12,16H,7-8,15H2,1-3H3,(H2,17,18,19).
What are the key properties of 5-[4-amino-3,3-dimethyl-1-(methylamino)butyl]-1,3-dihydrobenzimidazol-2-one?
5-[4-amino-3,3-dimethyl-1-(methylamino)butyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 262.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-amino-3,3-dimethyl-1-(methylamino)butyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 116950122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).