1H-benzimidazol-2-amine

C7H7N3 — CID 13624

IUPAC1H-benzimidazol-2-amine
SMILESNc1nc2ccccc2[nH]1
InChIInChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)
InChIKeyJWYUFVNJZUSCSM-UHFFFAOYSA-N
MW133.15 g/mol
LogP1.15
Rot. Bonds

About 1H-benzimidazol-2-amine

1H-benzimidazol-2-amine (PubChem CID 13624) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 1H-benzimidazol-2-amine.

Molecular Properties

Compound Name1H-benzimidazol-2-amine
PubChem CID13624
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name1H-benzimidazol-2-amine
SMILESNc1nc2ccccc2[nH]1
InChIInChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)
InChIKeyJWYUFVNJZUSCSM-UHFFFAOYSA-N
XLogP1.15
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Benzimidazole
CID 5798
Carbendazim
CID 25429
Bendazol
CID 12132
Lobendazole
CID 22752
Procodazole
CID 65708
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
1H-Benzimidazol-2-amine, 6-chloro-
CID 21527

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-amine?
The IUPAC name of 1H-benzimidazol-2-amine (CID 13624) is 1H-benzimidazol-2-amine.
What is the SMILES notation for 1H-benzimidazol-2-amine?
The canonical SMILES for 1H-benzimidazol-2-amine is Nc1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-amine?
The InChIKey is JWYUFVNJZUSCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10).
What are the key properties of 1H-benzimidazol-2-amine?
1H-benzimidazol-2-amine has a molecular weight of 133.15 g/mol, XLogP of 1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-amine is sourced from PubChem (CID 13624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).