N-[3-(dimethylamino)propyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide

C13H18N4O2 — CID 110701163

IUPACN-[3-(dimethylamino)propyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
SMILESCN(C)CCCNC(=O)c1cccc2[nH]c(=O)[nH]c12
InChIInChI=1S/C13H18N4O2/c1-17(2)8-4-7-14-12(18)9-5-3-6-10-11(9)16-13(19)15-10/h3,5-6H,4,7-8H2,1-2H3,(H,14,18)(H2,15,16,19)
InChIKeyPQLLRIPSAVNYNO-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.54
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide

N-[3-(dimethylamino)propyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide (PubChem CID 110701163) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
PubChem CID110701163
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-[3-(dimethylamino)propyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
SMILESCN(C)CCCNC(=O)c1cccc2[nH]c(=O)[nH]c12
InChIInChI=1S/C13H18N4O2/c1-17(2)8-4-7-14-12(18)9-5-3-6-10-11(9)16-13(19)15-10/h3,5-6H,4,7-8H2,1-2H3,(H,14,18)(H2,15,16,19)
InChIKeyPQLLRIPSAVNYNO-UHFFFAOYSA-N
XLogP0.54
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 110694434
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
CID 110701203
N-[(2-methoxyphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
CID 110701179
N-[3-(dimethylamino)propyl]-7H-benzo[c]carbazole-5-carboxamide
CID 86566487
2-benzoyl-N-[3-(dimethylamino)propyl]benzamide
CID 78793921
1-[2-(dimethylamino)ethylamino]-N-[3-[[1-[2-(dimethylamino)ethylamino]-9-oxo-10H-acridine-4-carbonyl]amino]propyl]-9-oxo-10H-acridine-4-carboxamide
CID 11814469
N-[3-(dimethylamino)propyl]-2-isocyanatobenzamide
CID 169353387
N-[2-(dimethylamino)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692285
N-[3-[methyl(propan-2-yl)amino]propyl]-1H-indole-4-carboxamide
CID 103721268
N-[3-(dimethylamino)propyl]-8-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 91641164
N-cyclopentadecyl-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
CID 72548098
N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127025

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide (CID 110701163) is N-[3-(dimethylamino)propyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide is CN(C)CCCNC(=O)c1cccc2[nH]c(=O)[nH]c12.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide?
The InChIKey is PQLLRIPSAVNYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-17(2)8-4-7-14-12(18)9-5-3-6-10-11(9)16-13(19)15-10/h3,5-6H,4,7-8H2,1-2H3,(H,14,18)(H2,15,16,19).
What are the key properties of N-[3-(dimethylamino)propyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide?
N-[3-(dimethylamino)propyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide is sourced from PubChem (CID 110701163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).