6-(3-azabicyclo[3.1.0]hexan-1-yl)-1-methylbenzimidazole-5-carboxamide

C14H16N4O — CID 67958756

IUPAC6-(3-azabicyclo[3.1.0]hexan-1-yl)-1-methylbenzimidazole-5-carboxamide
SMILESCn1cnc2cc(C(N)=O)c(C34CNCC3C4)cc21
InChIInChI=1S/C14H16N4O/c1-18-7-17-11-2-9(13(15)19)10(3-12(11)18)14-4-8(14)5-16-6-14/h2-3,7-8,16H,4-6H2,1H3,(H2,15,19)
InChIKeyAHWRCMILINKWJM-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.53
Rot. Bonds2

About 6-(3-azabicyclo[3.1.0]hexan-1-yl)-1-methylbenzimidazole-5-carboxamide

6-(3-azabicyclo[3.1.0]hexan-1-yl)-1-methylbenzimidazole-5-carboxamide (PubChem CID 67958756) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-(3-azabicyclo[3.1.0]hexan-1-yl)-1-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name6-(3-azabicyclo[3.1.0]hexan-1-yl)-1-methylbenzimidazole-5-carboxamide
PubChem CID67958756
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name6-(3-azabicyclo[3.1.0]hexan-1-yl)-1-methylbenzimidazole-5-carboxamide
SMILESCn1cnc2cc(C(N)=O)c(C34CNCC3C4)cc21
InChIInChI=1S/C14H16N4O/c1-18-7-17-11-2-9(13(15)19)10(3-12(11)18)14-4-8(14)5-16-6-14/h2-3,7-8,16H,4-6H2,1H3,(H2,15,19)
InChIKeyAHWRCMILINKWJM-UHFFFAOYSA-N
XLogP0.53
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-azabicyclo[3.1.0]hexan-1-yl)-1-methylbenzimidazole-5-carboxamide?
The IUPAC name of 6-(3-azabicyclo[3.1.0]hexan-1-yl)-1-methylbenzimidazole-5-carboxamide (CID 67958756) is 6-(3-azabicyclo[3.1.0]hexan-1-yl)-1-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 6-(3-azabicyclo[3.1.0]hexan-1-yl)-1-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 6-(3-azabicyclo[3.1.0]hexan-1-yl)-1-methylbenzimidazole-5-carboxamide is Cn1cnc2cc(C(N)=O)c(C34CNCC3C4)cc21.
What is the InChIKey of 6-(3-azabicyclo[3.1.0]hexan-1-yl)-1-methylbenzimidazole-5-carboxamide?
The InChIKey is AHWRCMILINKWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-18-7-17-11-2-9(13(15)19)10(3-12(11)18)14-4-8(14)5-16-6-14/h2-3,7-8,16H,4-6H2,1H3,(H2,15,19).
What are the key properties of 6-(3-azabicyclo[3.1.0]hexan-1-yl)-1-methylbenzimidazole-5-carboxamide?
6-(3-azabicyclo[3.1.0]hexan-1-yl)-1-methylbenzimidazole-5-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-azabicyclo[3.1.0]hexan-1-yl)-1-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 67958756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).