N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)acetamide

C9H13N3O — CID 11819615

IUPACN-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)acetamide
SMILESCC(=O)Nc1nc2c([nH]1)CCCC2
InChIInChI=1S/C9H13N3O/c1-6(13)10-9-11-7-4-2-3-5-8(7)12-9/h2-5H2,1H3,(H2,10,11,12,13)
InChIKeyDCHGWXCDPHNOHH-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.25
Rot. Bonds1

About N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)acetamide

N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)acetamide (PubChem CID 11819615) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)acetamide
PubChem CID11819615
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)acetamide
SMILESCC(=O)Nc1nc2c([nH]1)CCCC2
InChIInChI=1S/C9H13N3O/c1-6(13)10-9-11-7-4-2-3-5-8(7)12-9/h2-5H2,1H3,(H2,10,11,12,13)
InChIKeyDCHGWXCDPHNOHH-UHFFFAOYSA-N
XLogP1.25
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)acetamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)acetamide (CID 11819615) is N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)acetamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)acetamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)acetamide is CC(=O)Nc1nc2c([nH]1)CCCC2.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)acetamide?
The InChIKey is DCHGWXCDPHNOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6(13)10-9-11-7-4-2-3-5-8(7)12-9/h2-5H2,1H3,(H2,10,11,12,13).
What are the key properties of N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)acetamide?
N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)acetamide has a molecular weight of 179.22 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)acetamide is sourced from PubChem (CID 11819615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).