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

Analyze 6-morpholin-4-yl-1H-benzimidazole-4-carboxamide with MolForge

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

Launch Full Analysis

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).