N-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)benzamide

C14H17N3O — CID 2948240

IUPACN-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)benzamide
SMILESO=C(NC1=NC2CCCCC2N1)c1ccccc1
InChIInChI=1S/C14H17N3O/c18-13(10-6-2-1-3-7-10)17-14-15-11-8-4-5-9-12(11)16-14/h1-3,6-7,11-12H,4-5,8-9H2,(H2,15,16,17,18)
InChIKeyWWYKJYPDLWLCMO-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.69
Rot. Bonds1

About N-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)benzamide

N-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)benzamide (PubChem CID 2948240) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)benzamide
PubChem CID2948240
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)benzamide
SMILESO=C(NC1=NC2CCCCC2N1)c1ccccc1
InChIInChI=1S/C14H17N3O/c18-13(10-6-2-1-3-7-10)17-14-15-11-8-4-5-9-12(11)16-14/h1-3,6-7,11-12H,4-5,8-9H2,(H2,15,16,17,18)
InChIKeyWWYKJYPDLWLCMO-UHFFFAOYSA-N
XLogP1.69
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)benzamide?
The IUPAC name of N-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)benzamide (CID 2948240) is N-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)benzamide.
What is the SMILES notation for N-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)benzamide?
The canonical SMILES for N-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)benzamide is O=C(NC1=NC2CCCCC2N1)c1ccccc1.
What is the InChIKey of N-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)benzamide?
The InChIKey is WWYKJYPDLWLCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c18-13(10-6-2-1-3-7-10)17-14-15-11-8-4-5-9-12(11)16-14/h1-3,6-7,11-12H,4-5,8-9H2,(H2,15,16,17,18).
What are the key properties of N-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)benzamide?
N-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)benzamide has a molecular weight of 243.31 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)benzamide is sourced from PubChem (CID 2948240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).