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

C14H17N3O — CID 934867

IUPACN-[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]benzamide
SMILESO=C(NC1=N[C@@H]2CCCC[C@@H]2N1)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)/t11-,12+
InChIKeyWWYKJYPDLWLCMO-TXEJJXNPSA-N
MW243.31 g/mol
LogP1.69
Rot. Bonds1

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

N-[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]benzamide (PubChem CID 934867) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]benzamide
PubChem CID934867
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]benzamide
SMILESO=C(NC1=N[C@@H]2CCCC[C@@H]2N1)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)/t11-,12+
InChIKeyWWYKJYPDLWLCMO-TXEJJXNPSA-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

Analyze N-[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]benzamide with MolForge

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Related Compounds

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CID 113038827
N-(5-oxo-1,4-dihydroimidazol-2-yl)benzamide
CID 47266240
N-(2-benzamidocyclobutyl)benzamide
CID 58037122
4-benzamido-N-cyclopentylbenzamide
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N-(4-cyclohexylphenyl)benzamide
CID 10333838
(4-benzamidophenyl) cyclopentanecarboxylate
CID 26191011
N-[2-(1-cyclohexylethenyl)phenyl]benzamide
CID 154711008
CID 162397475
CID 162397475
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
N-[(1S,2R)-2-aminocyclohexyl]benzamide
CID 15151854
N-[(1S,2S)-2-aminocyclohexyl]benzamide
CID 15151853

Frequently Asked Questions

What is the IUPAC name of N-[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]benzamide?
The IUPAC name of N-[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]benzamide (CID 934867) is N-[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]benzamide.
What is the SMILES notation for N-[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]benzamide?
The canonical SMILES for N-[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]benzamide is O=C(NC1=N[C@@H]2CCCC[C@@H]2N1)c1ccccc1.
What is the InChIKey of N-[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]benzamide?
The InChIKey is WWYKJYPDLWLCMO-TXEJJXNPSA-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)/t11-,12+.
What are the key properties of N-[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]benzamide?
N-[(3aR,7aS)-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-[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]benzamide is sourced from PubChem (CID 934867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).