2-(2-amino-5,6,7,8-tetrahydrobenzo[f]benzimidazol-3-yl)-N-methylacetamide

C14H18N4O — CID 82359251

IUPAC2-(2-amino-5,6,7,8-tetrahydrobenzo[f]benzimidazol-3-yl)-N-methylacetamide
SMILESCNC(=O)Cn1c(N)nc2cc3c(cc21)CCCC3
InChIInChI=1S/C14H18N4O/c1-16-13(19)8-18-12-7-10-5-3-2-4-9(10)6-11(12)17-14(18)15/h6-7H,2-5,8H2,1H3,(H2,15,17)(H,16,19)
InChIKeyFJWSZUWNHJLDNO-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.24
Rot. Bonds2

About 2-(2-amino-5,6,7,8-tetrahydrobenzo[f]benzimidazol-3-yl)-N-methylacetamide

2-(2-amino-5,6,7,8-tetrahydrobenzo[f]benzimidazol-3-yl)-N-methylacetamide (PubChem CID 82359251) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(2-amino-5,6,7,8-tetrahydrobenzo[f]benzimidazol-3-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-amino-5,6,7,8-tetrahydrobenzo[f]benzimidazol-3-yl)-N-methylacetamide
PubChem CID82359251
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-(2-amino-5,6,7,8-tetrahydrobenzo[f]benzimidazol-3-yl)-N-methylacetamide
SMILESCNC(=O)Cn1c(N)nc2cc3c(cc21)CCCC3
InChIInChI=1S/C14H18N4O/c1-16-13(19)8-18-12-7-10-5-3-2-4-9(10)6-11(12)17-14(18)15/h6-7H,2-5,8H2,1H3,(H2,15,17)(H,16,19)
InChIKeyFJWSZUWNHJLDNO-UHFFFAOYSA-N
XLogP1.24
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5,6,7,8-tetrahydrobenzo[f]benzimidazol-3-yl)-N-methylacetamide?
The IUPAC name of 2-(2-amino-5,6,7,8-tetrahydrobenzo[f]benzimidazol-3-yl)-N-methylacetamide (CID 82359251) is 2-(2-amino-5,6,7,8-tetrahydrobenzo[f]benzimidazol-3-yl)-N-methylacetamide.
What is the SMILES notation for 2-(2-amino-5,6,7,8-tetrahydrobenzo[f]benzimidazol-3-yl)-N-methylacetamide?
The canonical SMILES for 2-(2-amino-5,6,7,8-tetrahydrobenzo[f]benzimidazol-3-yl)-N-methylacetamide is CNC(=O)Cn1c(N)nc2cc3c(cc21)CCCC3.
What is the InChIKey of 2-(2-amino-5,6,7,8-tetrahydrobenzo[f]benzimidazol-3-yl)-N-methylacetamide?
The InChIKey is FJWSZUWNHJLDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-16-13(19)8-18-12-7-10-5-3-2-4-9(10)6-11(12)17-14(18)15/h6-7H,2-5,8H2,1H3,(H2,15,17)(H,16,19).
What are the key properties of 2-(2-amino-5,6,7,8-tetrahydrobenzo[f]benzimidazol-3-yl)-N-methylacetamide?
2-(2-amino-5,6,7,8-tetrahydrobenzo[f]benzimidazol-3-yl)-N-methylacetamide has a molecular weight of 258.32 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5,6,7,8-tetrahydrobenzo[f]benzimidazol-3-yl)-N-methylacetamide is sourced from PubChem (CID 82359251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).