2-propanimidoyl-3H-benzimidazol-5-amine

C10H12N4 — CID 170117791

IUPAC2-propanimidoyl-3H-benzimidazol-5-amine
SMILES[H]/N=C(\CC)c1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C10H12N4/c1-2-7(12)10-13-8-4-3-6(11)5-9(8)14-10/h3-5,12H,2,11H2,1H3,(H,13,14)/b12-7+
InChIKeyPCTRTQZUBFPKPJ-KPKJPENVSA-N
MW188.23 g/mol
LogP1.92
Rot. Bonds2

About 2-propanimidoyl-3H-benzimidazol-5-amine

2-propanimidoyl-3H-benzimidazol-5-amine (PubChem CID 170117791) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-propanimidoyl-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-propanimidoyl-3H-benzimidazol-5-amine
PubChem CID170117791
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name2-propanimidoyl-3H-benzimidazol-5-amine
SMILES[H]/N=C(\CC)c1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C10H12N4/c1-2-7(12)10-13-8-4-3-6(11)5-9(8)14-10/h3-5,12H,2,11H2,1H3,(H,13,14)/b12-7+
InChIKeyPCTRTQZUBFPKPJ-KPKJPENVSA-N
XLogP1.92
TPSA78.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-propanimidoyl-3H-benzimidazol-5-amine?
The IUPAC name of 2-propanimidoyl-3H-benzimidazol-5-amine (CID 170117791) is 2-propanimidoyl-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-propanimidoyl-3H-benzimidazol-5-amine?
The canonical SMILES for 2-propanimidoyl-3H-benzimidazol-5-amine is [H]/N=C(\CC)c1nc2ccc(N)cc2[nH]1.
What is the InChIKey of 2-propanimidoyl-3H-benzimidazol-5-amine?
The InChIKey is PCTRTQZUBFPKPJ-KPKJPENVSA-N. The full InChI is InChI=1S/C10H12N4/c1-2-7(12)10-13-8-4-3-6(11)5-9(8)14-10/h3-5,12H,2,11H2,1H3,(H,13,14)/b12-7+.
What are the key properties of 2-propanimidoyl-3H-benzimidazol-5-amine?
2-propanimidoyl-3H-benzimidazol-5-amine has a molecular weight of 188.23 g/mol, XLogP of 1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propanimidoyl-3H-benzimidazol-5-amine is sourced from PubChem (CID 170117791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).