2-acetamido-N-(3H-benzimidazol-5-ylmethyl)-2-methylpropanamide;formic acid

C15H20N4O4 — CID 154903850

IUPAC2-acetamido-N-(3H-benzimidazol-5-ylmethyl)-2-methylpropanamide;formic acid
SMILESCC(=O)NC(C)(C)C(=O)NCc1ccc2nc[nH]c2c1.O=CO
InChIInChI=1S/C14H18N4O2.CH2O2/c1-9(19)18-14(2,3)13(20)15-7-10-4-5-11-12(6-10)17-8-16-11;2-1-3/h4-6,8H,7H2,1-3H3,(H,15,20)(H,16,17)(H,18,19);1H,(H,2,3)
InChIKeyKMGJZZBLTLRZEI-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.79
Rot. Bonds4

About 2-acetamido-N-(3H-benzimidazol-5-ylmethyl)-2-methylpropanamide;formic acid

2-acetamido-N-(3H-benzimidazol-5-ylmethyl)-2-methylpropanamide;formic acid (PubChem CID 154903850) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-acetamido-N-(3H-benzimidazol-5-ylmethyl)-2-methylpropanamide;formic acid.

Molecular Properties

Compound Name2-acetamido-N-(3H-benzimidazol-5-ylmethyl)-2-methylpropanamide;formic acid
PubChem CID154903850
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name2-acetamido-N-(3H-benzimidazol-5-ylmethyl)-2-methylpropanamide;formic acid
SMILESCC(=O)NC(C)(C)C(=O)NCc1ccc2nc[nH]c2c1.O=CO
InChIInChI=1S/C14H18N4O2.CH2O2/c1-9(19)18-14(2,3)13(20)15-7-10-4-5-11-12(6-10)17-8-16-11;2-1-3/h4-6,8H,7H2,1-3H3,(H,15,20)(H,16,17)(H,18,19);1H,(H,2,3)
InChIKeyKMGJZZBLTLRZEI-UHFFFAOYSA-N
XLogP0.79
TPSA124.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3H-benzimidazol-5-ylmethyl)-3-tert-butylurea
CID 110775445
N-(3H-benzimidazol-5-ylmethyl)carbamoyl chloride
CID 115194686
4-amino-N-(3H-benzimidazol-5-ylmethyl)-3,3-dimethylbutanamide
CID 115157341
methyl 2-(3H-benzimidazol-5-ylmethylamino)-2-oxoacetate
CID 115142411
2-amino-N-(3H-benzimidazol-5-ylmethyl)acetamide
CID 82491860
N-(3H-benzimidazol-5-ylmethyl)-2-chloroacetamide
CID 146094481
(1R,2S,4R)-N-(3H-benzimidazol-5-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide;formic acid
CID 154922151
N-(3H-benzimidazol-5-ylmethyl)-2-(4-bromophenyl)acetamide
CID 110785506
4-(3H-benzimidazol-5-yl)butan-2-one
CID 82405049
N'-(3H-benzimidazol-5-ylmethyl)-N-methylmethanediamine
CID 115226891
N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)propanamide
CID 110785494
4-amino-N-(3H-benzimidazol-5-ylmethyl)-3-methylbutanamide
CID 115156392

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(3H-benzimidazol-5-ylmethyl)-2-methylpropanamide;formic acid?
The IUPAC name of 2-acetamido-N-(3H-benzimidazol-5-ylmethyl)-2-methylpropanamide;formic acid (CID 154903850) is 2-acetamido-N-(3H-benzimidazol-5-ylmethyl)-2-methylpropanamide;formic acid.
What is the SMILES notation for 2-acetamido-N-(3H-benzimidazol-5-ylmethyl)-2-methylpropanamide;formic acid?
The canonical SMILES for 2-acetamido-N-(3H-benzimidazol-5-ylmethyl)-2-methylpropanamide;formic acid is CC(=O)NC(C)(C)C(=O)NCc1ccc2nc[nH]c2c1.O=CO.
What is the InChIKey of 2-acetamido-N-(3H-benzimidazol-5-ylmethyl)-2-methylpropanamide;formic acid?
The InChIKey is KMGJZZBLTLRZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2.CH2O2/c1-9(19)18-14(2,3)13(20)15-7-10-4-5-11-12(6-10)17-8-16-11;2-1-3/h4-6,8H,7H2,1-3H3,(H,15,20)(H,16,17)(H,18,19);1H,(H,2,3).
What are the key properties of 2-acetamido-N-(3H-benzimidazol-5-ylmethyl)-2-methylpropanamide;formic acid?
2-acetamido-N-(3H-benzimidazol-5-ylmethyl)-2-methylpropanamide;formic acid has a molecular weight of 320.35 g/mol, XLogP of 0.79, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(3H-benzimidazol-5-ylmethyl)-2-methylpropanamide;formic acid is sourced from PubChem (CID 154903850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).