4-ethyl-2-methyl-1H-benzimidazol-5-amine

C10H13N3 — CID 54347132

IUPAC4-ethyl-2-methyl-1H-benzimidazol-5-amine
SMILESCCc1c(N)ccc2[nH]c(C)nc12
InChIInChI=1S/C10H13N3/c1-3-7-8(11)4-5-9-10(7)13-6(2)12-9/h4-5H,3,11H2,1-2H3,(H,12,13)
InChIKeyUDBUZDYBAOKRPX-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.02
Rot. Bonds1

About 4-ethyl-2-methyl-1H-benzimidazol-5-amine

4-ethyl-2-methyl-1H-benzimidazol-5-amine (PubChem CID 54347132) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-ethyl-2-methyl-1H-benzimidazol-5-amine.

Molecular Properties

Compound Name4-ethyl-2-methyl-1H-benzimidazol-5-amine
PubChem CID54347132
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name4-ethyl-2-methyl-1H-benzimidazol-5-amine
SMILESCCc1c(N)ccc2[nH]c(C)nc12
InChIInChI=1S/C10H13N3/c1-3-7-8(11)4-5-9-10(7)13-6(2)12-9/h4-5H,3,11H2,1-2H3,(H,12,13)
InChIKeyUDBUZDYBAOKRPX-UHFFFAOYSA-N
XLogP2.02
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-1H-benzimidazol-5-amine?
The IUPAC name of 4-ethyl-2-methyl-1H-benzimidazol-5-amine (CID 54347132) is 4-ethyl-2-methyl-1H-benzimidazol-5-amine.
What is the SMILES notation for 4-ethyl-2-methyl-1H-benzimidazol-5-amine?
The canonical SMILES for 4-ethyl-2-methyl-1H-benzimidazol-5-amine is CCc1c(N)ccc2[nH]c(C)nc12.
What is the InChIKey of 4-ethyl-2-methyl-1H-benzimidazol-5-amine?
The InChIKey is UDBUZDYBAOKRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-3-7-8(11)4-5-9-10(7)13-6(2)12-9/h4-5H,3,11H2,1-2H3,(H,12,13).
What are the key properties of 4-ethyl-2-methyl-1H-benzimidazol-5-amine?
4-ethyl-2-methyl-1H-benzimidazol-5-amine has a molecular weight of 175.23 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-1H-benzimidazol-5-amine is sourced from PubChem (CID 54347132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).