2-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C16H26N4O2 — CID 91628408

IUPAC2-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)CC(C(=O)NCCCN1CCOCC1)CC2
InChIInChI=1S/C16H26N4O2/c1-12-18-14-4-3-13(11-15(14)19-12)16(21)17-5-2-6-20-7-9-22-10-8-20/h13H,2-11H2,1H3,(H,17,21)(H,18,19)
InChIKeyROJNWNDJQTUPNM-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.66
Rot. Bonds5

About 2-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

2-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 91628408) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID91628408
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)CC(C(=O)NCCCN1CCOCC1)CC2
InChIInChI=1S/C16H26N4O2/c1-12-18-14-4-3-13(11-15(14)19-12)16(21)17-5-2-6-20-7-9-22-10-8-20/h13H,2-11H2,1H3,(H,17,21)(H,18,19)
InChIKeyROJNWNDJQTUPNM-UHFFFAOYSA-N
XLogP0.66
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 91628408) is 2-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is Cc1nc2c([nH]1)CC(C(=O)NCCCN1CCOCC1)CC2.
What is the InChIKey of 2-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is ROJNWNDJQTUPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12-18-14-4-3-13(11-15(14)19-12)16(21)17-5-2-6-20-7-9-22-10-8-20/h13H,2-11H2,1H3,(H,17,21)(H,18,19).
What are the key properties of 2-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
2-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 91628408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).