1H-benzimidazol-2-ylmethanamine;hydrate

C8H11N3O — CID 23192500

IUPAC1H-benzimidazol-2-ylmethanamine;hydrate
SMILESNCc1nc2ccccc2[nH]1.O
InChIInChI=1S/C8H9N3.H2O/c9-5-8-10-6-3-1-2-4-7(6)11-8;/h1-4H,5,9H2,(H,10,11);1H2
InChIKeyASYZESNDEQKPLF-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.20
Rot. Bonds1

About 1H-benzimidazol-2-ylmethanamine;hydrate

1H-benzimidazol-2-ylmethanamine;hydrate (PubChem CID 23192500) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 1H-benzimidazol-2-ylmethanamine;hydrate.

Molecular Properties

Compound Name1H-benzimidazol-2-ylmethanamine;hydrate
PubChem CID23192500
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name1H-benzimidazol-2-ylmethanamine;hydrate
SMILESNCc1nc2ccccc2[nH]1.O
InChIInChI=1S/C8H9N3.H2O/c9-5-8-10-6-3-1-2-4-7(6)11-8;/h1-4H,5,9H2,(H,10,11);1H2
InChIKeyASYZESNDEQKPLF-UHFFFAOYSA-N
XLogP0.20
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

copper;1H-benzimidazol-2-ylmethanamine;2-(carboxymethylamino)acetic acid
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2-(1H-benzimidazol-2-yl)acetonitrile
CID 53446454
bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
CID 87640795
CID 87640795
1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 13169407
[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]methanamine
CID 63638262
N'-(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine
CID 15365342
O-[2-(1H-benzimidazol-2-yl)ethyl]hydroxylamine
CID 142734516
3-(1H-benzimidazol-2-ylmethylsulfanyl)propan-1-amine
CID 66220038
2-N-(1H-benzimidazol-2-ylmethyl)propane-1,2-diamine
CID 103389827

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-ylmethanamine;hydrate?
The IUPAC name of 1H-benzimidazol-2-ylmethanamine;hydrate (CID 23192500) is 1H-benzimidazol-2-ylmethanamine;hydrate.
What is the SMILES notation for 1H-benzimidazol-2-ylmethanamine;hydrate?
The canonical SMILES for 1H-benzimidazol-2-ylmethanamine;hydrate is NCc1nc2ccccc2[nH]1.O.
What is the InChIKey of 1H-benzimidazol-2-ylmethanamine;hydrate?
The InChIKey is ASYZESNDEQKPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3.H2O/c9-5-8-10-6-3-1-2-4-7(6)11-8;/h1-4H,5,9H2,(H,10,11);1H2.
What are the key properties of 1H-benzimidazol-2-ylmethanamine;hydrate?
1H-benzimidazol-2-ylmethanamine;hydrate has a molecular weight of 165.20 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-ylmethanamine;hydrate is sourced from PubChem (CID 23192500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).