4-(aminomethyl)-1-cyclopropylbenzimidazol-2-amine

C11H14N4 — CID 84776913

IUPAC4-(aminomethyl)-1-cyclopropylbenzimidazol-2-amine
SMILESNCc1cccc2c1nc(N)n2C1CC1
InChIInChI=1S/C11H14N4/c12-6-7-2-1-3-9-10(7)14-11(13)15(9)8-4-5-8/h1-3,8H,4-6,12H2,(H2,13,14)
InChIKeyDSGBSHHHWMSYNB-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.41
Rot. Bonds2

About 4-(aminomethyl)-1-cyclopropylbenzimidazol-2-amine

4-(aminomethyl)-1-cyclopropylbenzimidazol-2-amine (PubChem CID 84776913) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-(aminomethyl)-1-cyclopropylbenzimidazol-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-1-cyclopropylbenzimidazol-2-amine
PubChem CID84776913
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name4-(aminomethyl)-1-cyclopropylbenzimidazol-2-amine
SMILESNCc1cccc2c1nc(N)n2C1CC1
InChIInChI=1S/C11H14N4/c12-6-7-2-1-3-9-10(7)14-11(13)15(9)8-4-5-8/h1-3,8H,4-6,12H2,(H2,13,14)
InChIKeyDSGBSHHHWMSYNB-UHFFFAOYSA-N
XLogP1.41
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-cyclopropylbenzimidazol-2-amine?
The IUPAC name of 4-(aminomethyl)-1-cyclopropylbenzimidazol-2-amine (CID 84776913) is 4-(aminomethyl)-1-cyclopropylbenzimidazol-2-amine.
What is the SMILES notation for 4-(aminomethyl)-1-cyclopropylbenzimidazol-2-amine?
The canonical SMILES for 4-(aminomethyl)-1-cyclopropylbenzimidazol-2-amine is NCc1cccc2c1nc(N)n2C1CC1.
What is the InChIKey of 4-(aminomethyl)-1-cyclopropylbenzimidazol-2-amine?
The InChIKey is DSGBSHHHWMSYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c12-6-7-2-1-3-9-10(7)14-11(13)15(9)8-4-5-8/h1-3,8H,4-6,12H2,(H2,13,14).
What are the key properties of 4-(aminomethyl)-1-cyclopropylbenzimidazol-2-amine?
4-(aminomethyl)-1-cyclopropylbenzimidazol-2-amine has a molecular weight of 202.26 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-cyclopropylbenzimidazol-2-amine is sourced from PubChem (CID 84776913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).