N-(1H-benzimidazol-4-yl)formamide

C8H7N3O — CID 15710577

IUPACN-(1H-benzimidazol-4-yl)formamide
SMILESO=CNc1cccc2[nH]cnc12
InChIInChI=1S/C8H7N3O/c12-5-11-7-3-1-2-6-8(7)10-4-9-6/h1-5H,(H,9,10)(H,11,12)
InChIKeyLGITZGIQYPDWBF-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.13
Rot. Bonds2

About N-(1H-benzimidazol-4-yl)formamide

N-(1H-benzimidazol-4-yl)formamide (PubChem CID 15710577) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is N-(1H-benzimidazol-4-yl)formamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-4-yl)formamide
PubChem CID15710577
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC NameN-(1H-benzimidazol-4-yl)formamide
SMILESO=CNc1cccc2[nH]cnc12
InChIInChI=1S/C8H7N3O/c12-5-11-7-3-1-2-6-8(7)10-4-9-6/h1-5H,(H,9,10)(H,11,12)
InChIKeyLGITZGIQYPDWBF-UHFFFAOYSA-N
XLogP1.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-4-yl)formamide?
The IUPAC name of N-(1H-benzimidazol-4-yl)formamide (CID 15710577) is N-(1H-benzimidazol-4-yl)formamide.
What is the SMILES notation for N-(1H-benzimidazol-4-yl)formamide?
The canonical SMILES for N-(1H-benzimidazol-4-yl)formamide is O=CNc1cccc2[nH]cnc12.
What is the InChIKey of N-(1H-benzimidazol-4-yl)formamide?
The InChIKey is LGITZGIQYPDWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c12-5-11-7-3-1-2-6-8(7)10-4-9-6/h1-5H,(H,9,10)(H,11,12).
What are the key properties of N-(1H-benzimidazol-4-yl)formamide?
N-(1H-benzimidazol-4-yl)formamide has a molecular weight of 161.16 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-4-yl)formamide is sourced from PubChem (CID 15710577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).