N,6-dimethyl-1-(2-methylpropyl)-2-(4-oxo-5H-furo[3,2-c]pyridin-2-yl)benzimidazole-5-carboxamide

C21H22N4O3 — CID 176577907

IUPACN,6-dimethyl-1-(2-methylpropyl)-2-(4-oxo-5H-furo[3,2-c]pyridin-2-yl)benzimidazole-5-carboxamide
SMILESCNC(=O)c1cc2nc(-c3cc4c(=O)[nH]ccc4o3)n(CC(C)C)c2cc1C
InChIInChI=1S/C21H22N4O3/c1-11(2)10-25-16-7-12(3)13(20(26)22-4)8-15(16)24-19(25)18-9-14-17(28-18)5-6-23-21(14)27/h5-9,11H,10H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyKXKSJABBRYRODY-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.46
Rot. Bonds4

About N,6-dimethyl-1-(2-methylpropyl)-2-(4-oxo-5H-furo[3,2-c]pyridin-2-yl)benzimidazole-5-carboxamide

N,6-dimethyl-1-(2-methylpropyl)-2-(4-oxo-5H-furo[3,2-c]pyridin-2-yl)benzimidazole-5-carboxamide (PubChem CID 176577907) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N,6-dimethyl-1-(2-methylpropyl)-2-(4-oxo-5H-furo[3,2-c]pyridin-2-yl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-1-(2-methylpropyl)-2-(4-oxo-5H-furo[3,2-c]pyridin-2-yl)benzimidazole-5-carboxamide
PubChem CID176577907
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN,6-dimethyl-1-(2-methylpropyl)-2-(4-oxo-5H-furo[3,2-c]pyridin-2-yl)benzimidazole-5-carboxamide
SMILESCNC(=O)c1cc2nc(-c3cc4c(=O)[nH]ccc4o3)n(CC(C)C)c2cc1C
InChIInChI=1S/C21H22N4O3/c1-11(2)10-25-16-7-12(3)13(20(26)22-4)8-15(16)24-19(25)18-9-14-17(28-18)5-6-23-21(14)27/h5-9,11H,10H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyKXKSJABBRYRODY-UHFFFAOYSA-N
XLogP3.46
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N,6-dimethyl-1-(2-methylpropyl)-2-(4-oxo-5H-furo[3,2-c]pyridin-2-yl)benzimidazole-5-carboxamide with MolForge

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Related Compounds

[5-[5,6-dichloro-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid
CID 22459930
N,6-dimethyl-2-(methylamino)-1H-benzimidazole-5-carboxamide
CID 59522615
4-(5-hydroxypentyl)-N-(1H-indol-6-ylmethyl)-6,7-dimethyl-3-oxoquinoxaline-2-carboxamide
CID 170173460
[5-[1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid
CID 22459964
3-(5,6-dimethyl-1-propylbenzimidazol-2-yl)-1H-pyridin-2-one
CID 1487330
2-[2-(2-methylphenyl)-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid
CID 94742956
2-methyl-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17006775
[5-[1-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]furan-2-yl]phosphonic acid
CID 25029959
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 30538422
4-[[2-[(2-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]methyl]-N-propan-2-ylbenzamide
CID 83287710
N,2-dimethylfuro[3,2-f][1,3]benzoxazole-7-carboxamide
CID 71218770
N,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 67106005

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-1-(2-methylpropyl)-2-(4-oxo-5H-furo[3,2-c]pyridin-2-yl)benzimidazole-5-carboxamide?
The IUPAC name of N,6-dimethyl-1-(2-methylpropyl)-2-(4-oxo-5H-furo[3,2-c]pyridin-2-yl)benzimidazole-5-carboxamide (CID 176577907) is N,6-dimethyl-1-(2-methylpropyl)-2-(4-oxo-5H-furo[3,2-c]pyridin-2-yl)benzimidazole-5-carboxamide.
What is the SMILES notation for N,6-dimethyl-1-(2-methylpropyl)-2-(4-oxo-5H-furo[3,2-c]pyridin-2-yl)benzimidazole-5-carboxamide?
The canonical SMILES for N,6-dimethyl-1-(2-methylpropyl)-2-(4-oxo-5H-furo[3,2-c]pyridin-2-yl)benzimidazole-5-carboxamide is CNC(=O)c1cc2nc(-c3cc4c(=O)[nH]ccc4o3)n(CC(C)C)c2cc1C.
What is the InChIKey of N,6-dimethyl-1-(2-methylpropyl)-2-(4-oxo-5H-furo[3,2-c]pyridin-2-yl)benzimidazole-5-carboxamide?
The InChIKey is KXKSJABBRYRODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-11(2)10-25-16-7-12(3)13(20(26)22-4)8-15(16)24-19(25)18-9-14-17(28-18)5-6-23-21(14)27/h5-9,11H,10H2,1-4H3,(H,22,26)(H,23,27).
What are the key properties of N,6-dimethyl-1-(2-methylpropyl)-2-(4-oxo-5H-furo[3,2-c]pyridin-2-yl)benzimidazole-5-carboxamide?
N,6-dimethyl-1-(2-methylpropyl)-2-(4-oxo-5H-furo[3,2-c]pyridin-2-yl)benzimidazole-5-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-1-(2-methylpropyl)-2-(4-oxo-5H-furo[3,2-c]pyridin-2-yl)benzimidazole-5-carboxamide is sourced from PubChem (CID 176577907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).