N-methyl-1H-benzimidazol-2-amine

C8H9N3 — CID 676520

IUPACN-methyl-1H-benzimidazol-2-amine
SMILESCNc1nc2ccccc2[nH]1
InChIInChI=1S/C8H9N3/c1-9-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,9,10,11)
InChIKeyALBBQFWHUCTZFM-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.60
Rot. Bonds1

About N-methyl-1H-benzimidazol-2-amine

N-methyl-1H-benzimidazol-2-amine (PubChem CID 676520) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is N-methyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-methyl-1H-benzimidazol-2-amine
PubChem CID676520
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC NameN-methyl-1H-benzimidazol-2-amine
SMILESCNc1nc2ccccc2[nH]1
InChIInChI=1S/C8H9N3/c1-9-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,9,10,11)
InChIKeyALBBQFWHUCTZFM-UHFFFAOYSA-N
XLogP1.60
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1H-benzimidazol-2-amine?
The IUPAC name of N-methyl-1H-benzimidazol-2-amine (CID 676520) is N-methyl-1H-benzimidazol-2-amine.
What is the SMILES notation for N-methyl-1H-benzimidazol-2-amine?
The canonical SMILES for N-methyl-1H-benzimidazol-2-amine is CNc1nc2ccccc2[nH]1.
What is the InChIKey of N-methyl-1H-benzimidazol-2-amine?
The InChIKey is ALBBQFWHUCTZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-9-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,9,10,11).
What are the key properties of N-methyl-1H-benzimidazol-2-amine?
N-methyl-1H-benzimidazol-2-amine has a molecular weight of 147.18 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 676520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).