N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1H-benzimidazole-2-carboxamide

C16H18N4O2 — CID 121498927

IUPACN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1H-benzimidazole-2-carboxamide
SMILESCN(C)C(CNC(=O)c1nc2ccccc2[nH]1)c1ccco1
InChIInChI=1S/C16H18N4O2/c1-20(2)13(14-8-5-9-22-14)10-17-16(21)15-18-11-6-3-4-7-12(11)19-15/h3-9,13H,10H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyIWBDPDJUBXVGAZ-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.19
Rot. Bonds5

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1H-benzimidazole-2-carboxamide

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1H-benzimidazole-2-carboxamide (PubChem CID 121498927) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1H-benzimidazole-2-carboxamide
PubChem CID121498927
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1H-benzimidazole-2-carboxamide
SMILESCN(C)C(CNC(=O)c1nc2ccccc2[nH]1)c1ccco1
InChIInChI=1S/C16H18N4O2/c1-20(2)13(14-8-5-9-22-14)10-17-16(21)15-18-11-6-3-4-7-12(11)19-15/h3-9,13H,10H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyIWBDPDJUBXVGAZ-UHFFFAOYSA-N
XLogP2.19
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Fuberidazole
CID 19756
AC1903
CID 667146
N-[4-(1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide
CID 763448
Propan-2-yl 13-(furan-2-yl)-11-methyl-1,8,10-triazatricyclo[7.4.0.0,2,7]trideca-2,4,6,8,11-pentaene-12-carboxylate
CID 17198004
N-[3-(1-ethyl-1H-benzimidazol-2-yl)propyl]furan-2-carboxamide
CID 3164555
2-Furan-2-yl-1-furan-2-ylmethyl-1H-benzoimidazole
CID 650866
1-Methyl-2-(5-methyl-2-furanyl)-1H-benzimidazole
CID 806167
(E)-2-(1H-Benzoimidazol-2-yl)-3-(5-morpholin-4-yl-furan-2-yl)-acrylonitrile
CID 5914490
N-[(1H-1,3-benzodiazol-2-yl)methyl]furan-2-carboxamide
CID 659559
N-[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 2192323
N-(furan-2-ylmethyl)-6-phenoxy-1H-benzimidazol-2-amine
CID 164885957
N-(1,2-dimethyl-1H-benzimidazol-5-yl)-2-furamide
CID 828712

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1H-benzimidazole-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1H-benzimidazole-2-carboxamide (CID 121498927) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1H-benzimidazole-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1H-benzimidazole-2-carboxamide is CN(C)C(CNC(=O)c1nc2ccccc2[nH]1)c1ccco1.
What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1H-benzimidazole-2-carboxamide?
The InChIKey is IWBDPDJUBXVGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-20(2)13(14-8-5-9-22-14)10-17-16(21)15-18-11-6-3-4-7-12(11)19-15/h3-9,13H,10H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1H-benzimidazole-2-carboxamide?
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1H-benzimidazole-2-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 121498927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).