4-methyl-1H-benzimidazol-2-amine

C8H9N3 — CID 14933021

IUPAC4-methyl-1H-benzimidazol-2-amine
SMILESCc1cccc2[nH]c(N)nc12
InChIInChI=1S/C8H9N3/c1-5-3-2-4-6-7(5)11-8(9)10-6/h2-4H,1H3,(H3,9,10,11)
InChIKeyJYYASXKOESRUKU-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.45
Rot. Bonds

About 4-methyl-1H-benzimidazol-2-amine

4-methyl-1H-benzimidazol-2-amine (PubChem CID 14933021) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 4-methyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1H-benzimidazol-2-amine
PubChem CID14933021
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name4-methyl-1H-benzimidazol-2-amine
SMILESCc1cccc2[nH]c(N)nc12
InChIInChI=1S/C8H9N3/c1-5-3-2-4-6-7(5)11-8(9)10-6/h2-4H,1H3,(H3,9,10,11)
InChIKeyJYYASXKOESRUKU-UHFFFAOYSA-N
XLogP1.45
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Benzimidazole
CID 5798
Carbendazim
CID 25429
2-Aminobenzimidazole
CID 13624
Parbendazole
CID 26596
Bendazol
CID 12132
5,6-Dimethylbenzimidazole
CID 675
2-Methylbenzimidazole
CID 11984
2-Phenylbenzimidazole
CID 12855
2-(Methylthio)benzimidazole
CID 23539
5-Methylbenzimidazole
CID 11979
Benzimidazole, 2-butyl-
CID 22122
2-(Trifluoromethyl)-1H-benzimidazole
CID 67560

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1H-benzimidazol-2-amine?
The IUPAC name of 4-methyl-1H-benzimidazol-2-amine (CID 14933021) is 4-methyl-1H-benzimidazol-2-amine.
What is the SMILES notation for 4-methyl-1H-benzimidazol-2-amine?
The canonical SMILES for 4-methyl-1H-benzimidazol-2-amine is Cc1cccc2[nH]c(N)nc12.
What is the InChIKey of 4-methyl-1H-benzimidazol-2-amine?
The InChIKey is JYYASXKOESRUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-5-3-2-4-6-7(5)11-8(9)10-6/h2-4H,1H3,(H3,9,10,11).
What are the key properties of 4-methyl-1H-benzimidazol-2-amine?
4-methyl-1H-benzimidazol-2-amine has a molecular weight of 147.18 g/mol, XLogP of 1.45, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 14933021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).