1H-benzimidazol-2-yl N-aminocarbamate

C8H8N4O2 — CID 174816484

IUPAC1H-benzimidazol-2-yl N-aminocarbamate
SMILESNNC(=O)Oc1nc2ccccc2[nH]1
InChIInChI=1S/C8H8N4O2/c9-12-8(13)14-7-10-5-3-1-2-4-6(5)11-7/h1-4H,9H2,(H,10,11)(H,12,13)
InChIKeyZUPWLCBQKDPTGA-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.52
Rot. Bonds1

About 1H-benzimidazol-2-yl N-aminocarbamate

1H-benzimidazol-2-yl N-aminocarbamate (PubChem CID 174816484) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl N-aminocarbamate.

Molecular Properties

Compound Name1H-benzimidazol-2-yl N-aminocarbamate
PubChem CID174816484
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name1H-benzimidazol-2-yl N-aminocarbamate
SMILESNNC(=O)Oc1nc2ccccc2[nH]1
InChIInChI=1S/C8H8N4O2/c9-12-8(13)14-7-10-5-3-1-2-4-6(5)11-7/h1-4H,9H2,(H,10,11)(H,12,13)
InChIKeyZUPWLCBQKDPTGA-UHFFFAOYSA-N
XLogP0.52
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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1H-benzimidazol-2-yl dihydrogen phosphate
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CID 87571724
2-methylsulfanyloxy-1H-benzimidazole
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1H-benzimidazol-2-yl (2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoate;2,2,2-trifluoroacetic acid
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3-(1H-benzimidazol-2-yloxy)benzoic acid
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2-(1H-benzimidazol-2-ylcarbamoyloxy)ethylazanium
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ethyl N-(1H-benzimidazol-2-ylmethyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl N-aminocarbamate?
The IUPAC name of 1H-benzimidazol-2-yl N-aminocarbamate (CID 174816484) is 1H-benzimidazol-2-yl N-aminocarbamate.
What is the SMILES notation for 1H-benzimidazol-2-yl N-aminocarbamate?
The canonical SMILES for 1H-benzimidazol-2-yl N-aminocarbamate is NNC(=O)Oc1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-yl N-aminocarbamate?
The InChIKey is ZUPWLCBQKDPTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c9-12-8(13)14-7-10-5-3-1-2-4-6(5)11-7/h1-4H,9H2,(H,10,11)(H,12,13).
What are the key properties of 1H-benzimidazol-2-yl N-aminocarbamate?
1H-benzimidazol-2-yl N-aminocarbamate has a molecular weight of 192.18 g/mol, XLogP of 0.52, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl N-aminocarbamate is sourced from PubChem (CID 174816484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).