3-[[[(7aR)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-yl]amino]methyl]benzamide

C14H18N4O — CID 155955817

IUPAC3-[[[(7aR)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-yl]amino]methyl]benzamide
SMILESNC(=O)c1cccc(CNC2=NC[C@H]3CCCN23)c1
InChIInChI=1S/C14H18N4O/c15-13(19)11-4-1-3-10(7-11)8-16-14-17-9-12-5-2-6-18(12)14/h1,3-4,7,12H,2,5-6,8-9H2,(H2,15,19)(H,16,17)/t12-/m1/s1
InChIKeyCKDZJHCWIGPMBR-GFCCVEGCSA-N
MW258.32 g/mol
LogP0.71
Rot. Bonds3

About 3-[[[(7aR)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-yl]amino]methyl]benzamide

3-[[[(7aR)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-yl]amino]methyl]benzamide (PubChem CID 155955817) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[[[(7aR)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-yl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[(7aR)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-yl]amino]methyl]benzamide
PubChem CID155955817
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-[[[(7aR)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-yl]amino]methyl]benzamide
SMILESNC(=O)c1cccc(CNC2=NC[C@H]3CCCN23)c1
InChIInChI=1S/C14H18N4O/c15-13(19)11-4-1-3-10(7-11)8-16-14-17-9-12-5-2-6-18(12)14/h1,3-4,7,12H,2,5-6,8-9H2,(H2,15,19)(H,16,17)/t12-/m1/s1
InChIKeyCKDZJHCWIGPMBR-GFCCVEGCSA-N
XLogP0.71
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[[(7aR)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-yl]amino]methyl]benzamide 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 3-[[[(7aR)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-yl]amino]methyl]benzamide?
The IUPAC name of 3-[[[(7aR)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-yl]amino]methyl]benzamide (CID 155955817) is 3-[[[(7aR)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-yl]amino]methyl]benzamide.
What is the SMILES notation for 3-[[[(7aR)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-yl]amino]methyl]benzamide?
The canonical SMILES for 3-[[[(7aR)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-yl]amino]methyl]benzamide is NC(=O)c1cccc(CNC2=NC[C@H]3CCCN23)c1.
What is the InChIKey of 3-[[[(7aR)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-yl]amino]methyl]benzamide?
The InChIKey is CKDZJHCWIGPMBR-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N4O/c15-13(19)11-4-1-3-10(7-11)8-16-14-17-9-12-5-2-6-18(12)14/h1,3-4,7,12H,2,5-6,8-9H2,(H2,15,19)(H,16,17)/t12-/m1/s1.
What are the key properties of 3-[[[(7aR)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-yl]amino]methyl]benzamide?
3-[[[(7aR)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-yl]amino]methyl]benzamide has a molecular weight of 258.32 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(7aR)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-yl]amino]methyl]benzamide is sourced from PubChem (CID 155955817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).