3-amino-N-(6-benzoyl-1H-benzimidazol-2-yl)propanamide

C17H16N4O2 — CID 66552648

IUPAC3-amino-N-(6-benzoyl-1H-benzimidazol-2-yl)propanamide
SMILESNCCC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1
InChIInChI=1S/C17H16N4O2/c18-9-8-15(22)21-17-19-13-7-6-12(10-14(13)20-17)16(23)11-4-2-1-3-5-11/h1-7,10H,8-9,18H2,(H2,19,20,21,22)
InChIKeyLSPQVFVCYDZDQE-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.08
Rot. Bonds5

About 3-amino-N-(6-benzoyl-1H-benzimidazol-2-yl)propanamide

3-amino-N-(6-benzoyl-1H-benzimidazol-2-yl)propanamide (PubChem CID 66552648) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-amino-N-(6-benzoyl-1H-benzimidazol-2-yl)propanamide.

Molecular Properties

Compound Name3-amino-N-(6-benzoyl-1H-benzimidazol-2-yl)propanamide
PubChem CID66552648
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name3-amino-N-(6-benzoyl-1H-benzimidazol-2-yl)propanamide
SMILESNCCC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1
InChIInChI=1S/C17H16N4O2/c18-9-8-15(22)21-17-19-13-7-6-12(10-14(13)20-17)16(23)11-4-2-1-3-5-11/h1-7,10H,8-9,18H2,(H2,19,20,21,22)
InChIKeyLSPQVFVCYDZDQE-UHFFFAOYSA-N
XLogP2.08
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6-benzoyl-1H-benzimidazol-2-yl)propanamide?
The IUPAC name of 3-amino-N-(6-benzoyl-1H-benzimidazol-2-yl)propanamide (CID 66552648) is 3-amino-N-(6-benzoyl-1H-benzimidazol-2-yl)propanamide.
What is the SMILES notation for 3-amino-N-(6-benzoyl-1H-benzimidazol-2-yl)propanamide?
The canonical SMILES for 3-amino-N-(6-benzoyl-1H-benzimidazol-2-yl)propanamide is NCCC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1.
What is the InChIKey of 3-amino-N-(6-benzoyl-1H-benzimidazol-2-yl)propanamide?
The InChIKey is LSPQVFVCYDZDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c18-9-8-15(22)21-17-19-13-7-6-12(10-14(13)20-17)16(23)11-4-2-1-3-5-11/h1-7,10H,8-9,18H2,(H2,19,20,21,22).
What are the key properties of 3-amino-N-(6-benzoyl-1H-benzimidazol-2-yl)propanamide?
3-amino-N-(6-benzoyl-1H-benzimidazol-2-yl)propanamide has a molecular weight of 308.34 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(6-benzoyl-1H-benzimidazol-2-yl)propanamide is sourced from PubChem (CID 66552648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).