5-(1-amino-3,4,4-trimethylpentyl)-1,3-dihydrobenzimidazol-2-one

C15H23N3O — CID 55260322

IUPAC5-(1-amino-3,4,4-trimethylpentyl)-1,3-dihydrobenzimidazol-2-one
SMILESCC(CC(N)c1ccc2[nH]c(=O)[nH]c2c1)C(C)(C)C
InChIInChI=1S/C15H23N3O/c1-9(15(2,3)4)7-11(16)10-5-6-12-13(8-10)18-14(19)17-12/h5-6,8-9,11H,7,16H2,1-4H3,(H2,17,18,19)
InChIKeyGLTLGGXAMGFTLN-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.93
Rot. Bonds3

About 5-(1-amino-3,4,4-trimethylpentyl)-1,3-dihydrobenzimidazol-2-one

5-(1-amino-3,4,4-trimethylpentyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 55260322) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-(1-amino-3,4,4-trimethylpentyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(1-amino-3,4,4-trimethylpentyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID55260322
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name5-(1-amino-3,4,4-trimethylpentyl)-1,3-dihydrobenzimidazol-2-one
SMILESCC(CC(N)c1ccc2[nH]c(=O)[nH]c2c1)C(C)(C)C
InChIInChI=1S/C15H23N3O/c1-9(15(2,3)4)7-11(16)10-5-6-12-13(8-10)18-14(19)17-12/h5-6,8-9,11H,7,16H2,1-4H3,(H2,17,18,19)
InChIKeyGLTLGGXAMGFTLN-UHFFFAOYSA-N
XLogP2.93
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 5-(1-amino-3,4,4-trimethylpentyl)-1,3-dihydrobenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-amino-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one
CID 43186846
5-amino-3-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide
CID 62935017
5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 43186831
4-amino-2,2-dimethyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 65298571
5-(1-amino-2-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one
CID 83530993
5-amino-3,3-dimethyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid
CID 62933664
1-(3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine
CID 63833414
5-(diaminomethyl)-1,3-dihydrobenzimidazol-2-one
CID 116939209
5-[2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one
CID 43483534
5-(1-chloroethyl)-1,3-dihydrobenzimidazol-2-one
CID 61083756
5-(1-bromo-3-methylpentyl)-1,3-dihydrobenzimidazol-2-one
CID 114876107
5-(1,4-diamino-2-methylbutyl)-1,3-dihydrobenzimidazol-2-one
CID 116934066

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-3,4,4-trimethylpentyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(1-amino-3,4,4-trimethylpentyl)-1,3-dihydrobenzimidazol-2-one (CID 55260322) is 5-(1-amino-3,4,4-trimethylpentyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(1-amino-3,4,4-trimethylpentyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(1-amino-3,4,4-trimethylpentyl)-1,3-dihydrobenzimidazol-2-one is CC(CC(N)c1ccc2[nH]c(=O)[nH]c2c1)C(C)(C)C.
What is the InChIKey of 5-(1-amino-3,4,4-trimethylpentyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is GLTLGGXAMGFTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-9(15(2,3)4)7-11(16)10-5-6-12-13(8-10)18-14(19)17-12/h5-6,8-9,11H,7,16H2,1-4H3,(H2,17,18,19).
What are the key properties of 5-(1-amino-3,4,4-trimethylpentyl)-1,3-dihydrobenzimidazol-2-one?
5-(1-amino-3,4,4-trimethylpentyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 261.37 g/mol, XLogP of 2.93, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-3,4,4-trimethylpentyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 55260322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).