benzimidazol-1-ylcarbamic acid

C8H7N3O2 — CID 21218422

IUPACbenzimidazol-1-ylcarbamic acid
SMILESO=C(O)Nn1cnc2ccccc21
InChIInChI=1S/C8H7N3O2/c12-8(13)10-11-5-9-6-3-1-2-4-7(6)11/h1-5,10H,(H,12,13)
InChIKeyICVLOEFLLLBNEB-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.26
Rot. Bonds1

About benzimidazol-1-ylcarbamic acid

benzimidazol-1-ylcarbamic acid (PubChem CID 21218422) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is benzimidazol-1-ylcarbamic acid.

Molecular Properties

Compound Namebenzimidazol-1-ylcarbamic acid
PubChem CID21218422
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Namebenzimidazol-1-ylcarbamic acid
SMILESO=C(O)Nn1cnc2ccccc21
InChIInChI=1S/C8H7N3O2/c12-8(13)10-11-5-9-6-3-1-2-4-7(6)11/h1-5,10H,(H,12,13)
InChIKeyICVLOEFLLLBNEB-UHFFFAOYSA-N
XLogP1.26
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(benzimidazol-1-yl)acetamide
CID 2318657
2-(benzimidazol-1-ylcarbamoyl)benzoic acid
CID 134107318
N-(benzimidazol-1-yl)-3-oxobutanamide
CID 87961400
N-(benzimidazol-1-yl)-2-bromobenzamide
CID 24535711
N-(benzimidazol-1-yl)-3-phenylsulfanylpropanamide
CID 34327055
N-(benzimidazol-1-yl)-2-benzylbenzamide
CID 27161774
N-(benzimidazol-1-yl)benzenesulfonamide
CID 118414889
N-(benzimidazol-1-yl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 17469611
N-(benzimidazol-1-yl)-5-chlorothiophene-2-carboxamide
CID 34328272
N-(benzimidazol-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 34334624
N-(benzimidazol-1-yl)-2-methylsulfonylbenzamide
CID 34338436
N-(benzimidazol-1-yl)-2,4-dichlorobenzamide
CID 17464518

Frequently Asked Questions

What is the IUPAC name of benzimidazol-1-ylcarbamic acid?
The IUPAC name of benzimidazol-1-ylcarbamic acid (CID 21218422) is benzimidazol-1-ylcarbamic acid.
What is the SMILES notation for benzimidazol-1-ylcarbamic acid?
The canonical SMILES for benzimidazol-1-ylcarbamic acid is O=C(O)Nn1cnc2ccccc21.
What is the InChIKey of benzimidazol-1-ylcarbamic acid?
The InChIKey is ICVLOEFLLLBNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c12-8(13)10-11-5-9-6-3-1-2-4-7(6)11/h1-5,10H,(H,12,13).
What are the key properties of benzimidazol-1-ylcarbamic acid?
benzimidazol-1-ylcarbamic acid has a molecular weight of 177.16 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzimidazol-1-ylcarbamic acid is sourced from PubChem (CID 21218422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).