(2-amino-1-propylbenzimidazol-5-yl)-methylcarbamic acid

C12H16N4O2 — CID 68790603

IUPAC(2-amino-1-propylbenzimidazol-5-yl)-methylcarbamic acid
SMILESCCCn1c(N)nc2cc(N(C)C(=O)O)ccc21
InChIInChI=1S/C12H16N4O2/c1-3-6-16-10-5-4-8(15(2)12(17)18)7-9(10)14-11(16)13/h4-5,7H,3,6H2,1-2H3,(H2,13,14)(H,17,18)
InChIKeyFSDRJZNHJZIICW-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.14
Rot. Bonds3

About (2-amino-1-propylbenzimidazol-5-yl)-methylcarbamic acid

(2-amino-1-propylbenzimidazol-5-yl)-methylcarbamic acid (PubChem CID 68790603) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is (2-amino-1-propylbenzimidazol-5-yl)-methylcarbamic acid.

Molecular Properties

Compound Name(2-amino-1-propylbenzimidazol-5-yl)-methylcarbamic acid
PubChem CID68790603
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name(2-amino-1-propylbenzimidazol-5-yl)-methylcarbamic acid
SMILESCCCn1c(N)nc2cc(N(C)C(=O)O)ccc21
InChIInChI=1S/C12H16N4O2/c1-3-6-16-10-5-4-8(15(2)12(17)18)7-9(10)14-11(16)13/h4-5,7H,3,6H2,1-2H3,(H2,13,14)(H,17,18)
InChIKeyFSDRJZNHJZIICW-UHFFFAOYSA-N
XLogP2.14
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2-amino-1-propylbenzimidazol-5-yl)-methylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-amino-1-propylbenzimidazol-5-yl)-methylcarbamic acid?
The IUPAC name of (2-amino-1-propylbenzimidazol-5-yl)-methylcarbamic acid (CID 68790603) is (2-amino-1-propylbenzimidazol-5-yl)-methylcarbamic acid.
What is the SMILES notation for (2-amino-1-propylbenzimidazol-5-yl)-methylcarbamic acid?
The canonical SMILES for (2-amino-1-propylbenzimidazol-5-yl)-methylcarbamic acid is CCCn1c(N)nc2cc(N(C)C(=O)O)ccc21.
What is the InChIKey of (2-amino-1-propylbenzimidazol-5-yl)-methylcarbamic acid?
The InChIKey is FSDRJZNHJZIICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-3-6-16-10-5-4-8(15(2)12(17)18)7-9(10)14-11(16)13/h4-5,7H,3,6H2,1-2H3,(H2,13,14)(H,17,18).
What are the key properties of (2-amino-1-propylbenzimidazol-5-yl)-methylcarbamic acid?
(2-amino-1-propylbenzimidazol-5-yl)-methylcarbamic acid has a molecular weight of 248.29 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1-propylbenzimidazol-5-yl)-methylcarbamic acid is sourced from PubChem (CID 68790603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).