6-morpholin-4-yl-1H-benzimidazole-4-carboxamide

C12H14N4O2 — CID 123491353

IUPAC6-morpholin-4-yl-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cc(N2CCOCC2)cc2[nH]cnc12
InChIInChI=1S/C12H14N4O2/c13-12(17)9-5-8(16-1-3-18-4-2-16)6-10-11(9)15-7-14-10/h5-7H,1-4H2,(H2,13,17)(H,14,15)
InChIKeyDVXCSZFWAMCAMB-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.50
Rot. Bonds2

About 6-morpholin-4-yl-1H-benzimidazole-4-carboxamide

6-morpholin-4-yl-1H-benzimidazole-4-carboxamide (PubChem CID 123491353) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-morpholin-4-yl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-morpholin-4-yl-1H-benzimidazole-4-carboxamide
PubChem CID123491353
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name6-morpholin-4-yl-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cc(N2CCOCC2)cc2[nH]cnc12
InChIInChI=1S/C12H14N4O2/c13-12(17)9-5-8(16-1-3-18-4-2-16)6-10-11(9)15-7-14-10/h5-7H,1-4H2,(H2,13,17)(H,14,15)
InChIKeyDVXCSZFWAMCAMB-UHFFFAOYSA-N
XLogP0.50
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-morpholin-4-yl-1H-benzimidazole-4-carboxylic acid
CID 118539723
6-amino-1H-benzimidazole-4-carboxamide
CID 121232289
4-amino-8-bromo-6-morpholin-4-ylquinoline-3-carboxamide
CID 155673040
1-isoquinolin-3-yl-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134364221
4-morpholin-4-ylpyridine-2,5-dicarboxamide
CID 155353746
2-methyl-6-morpholin-4-yl-1-naphthalen-2-ylbenzimidazole-4-carboxamide
CID 134364273
1-(7-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134364268
2-methyl-1-(3-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134361790
5-(1H-benzimidazol-4-yl)-6-methyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide
CID 175847932
2-piperazin-1-yl-6-pyrrolidin-1-yl-1H-benzimidazole-4-carboxamide
CID 18428097
1-(5-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134362140
6-(4-methylpiperazin-1-yl)quinazoline-8-carboxamide
CID 175736822

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-morpholin-4-yl-1H-benzimidazole-4-carboxamide (CID 123491353) is 6-morpholin-4-yl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-morpholin-4-yl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-morpholin-4-yl-1H-benzimidazole-4-carboxamide is NC(=O)c1cc(N2CCOCC2)cc2[nH]cnc12.
What is the InChIKey of 6-morpholin-4-yl-1H-benzimidazole-4-carboxamide?
The InChIKey is DVXCSZFWAMCAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-12(17)9-5-8(16-1-3-18-4-2-16)6-10-11(9)15-7-14-10/h5-7H,1-4H2,(H2,13,17)(H,14,15).
What are the key properties of 6-morpholin-4-yl-1H-benzimidazole-4-carboxamide?
6-morpholin-4-yl-1H-benzimidazole-4-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 123491353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).