N-(benzimidazol-1-yl)-N-propan-2-ylnitrous amide

C10H12N4O — CID 15370040

IUPACN-(benzimidazol-1-yl)-N-propan-2-ylnitrous amide
SMILESCC(C)N(N=O)n1cnc2ccccc21
InChIInChI=1S/C10H12N4O/c1-8(2)14(12-15)13-7-11-9-5-3-4-6-10(9)13/h3-8H,1-2H3
InChIKeyYDVQBHSVQTWBOH-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.06
Rot. Bonds3

About N-(benzimidazol-1-yl)-N-propan-2-ylnitrous amide

N-(benzimidazol-1-yl)-N-propan-2-ylnitrous amide (PubChem CID 15370040) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is N-(benzimidazol-1-yl)-N-propan-2-ylnitrous amide.

Molecular Properties

Compound NameN-(benzimidazol-1-yl)-N-propan-2-ylnitrous amide
PubChem CID15370040
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC NameN-(benzimidazol-1-yl)-N-propan-2-ylnitrous amide
SMILESCC(C)N(N=O)n1cnc2ccccc21
InChIInChI=1S/C10H12N4O/c1-8(2)14(12-15)13-7-11-9-5-3-4-6-10(9)13/h3-8H,1-2H3
InChIKeyYDVQBHSVQTWBOH-UHFFFAOYSA-N
XLogP2.06
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-diphenylbenzimidazol-1-amine
CID 21219386
3-(benzimidazol-1-yl)butanoic acid
CID 6486725
N,N-bis(2-methylpropyl)benzimidazole-1-carboxamide
CID 170698971
CID 172839062
CID 172839062
1-(benzimidazol-1-yl)propane-1,2-diol
CID 22018573
N-[1-(benzimidazol-1-yl)ethyl]-N-ethylacetamide
CID 71618995
(Z)-N-(benzimidazol-1-yl)-1-(4-propan-2-ylphenyl)methanimine
CID 9023604
3-(benzimidazol-1-yl)-2-methylbutanoic acid
CID 79391700
1-butan-2-ylbenzimidazole;hydrochloride
CID 56832397
1-(benzimidazol-1-yl)propan-2-ol
CID 22504258
(2R)-3-(benzimidazol-1-yl)-2-methylpropanoic acid
CID 806595
3-(benzimidazol-1-yl)-2-methylpropanamide
CID 112688309

Frequently Asked Questions

What is the IUPAC name of N-(benzimidazol-1-yl)-N-propan-2-ylnitrous amide?
The IUPAC name of N-(benzimidazol-1-yl)-N-propan-2-ylnitrous amide (CID 15370040) is N-(benzimidazol-1-yl)-N-propan-2-ylnitrous amide.
What is the SMILES notation for N-(benzimidazol-1-yl)-N-propan-2-ylnitrous amide?
The canonical SMILES for N-(benzimidazol-1-yl)-N-propan-2-ylnitrous amide is CC(C)N(N=O)n1cnc2ccccc21.
What is the InChIKey of N-(benzimidazol-1-yl)-N-propan-2-ylnitrous amide?
The InChIKey is YDVQBHSVQTWBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-8(2)14(12-15)13-7-11-9-5-3-4-6-10(9)13/h3-8H,1-2H3.
What are the key properties of N-(benzimidazol-1-yl)-N-propan-2-ylnitrous amide?
N-(benzimidazol-1-yl)-N-propan-2-ylnitrous amide has a molecular weight of 204.23 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazol-1-yl)-N-propan-2-ylnitrous amide is sourced from PubChem (CID 15370040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).