N-(1H-benzimidazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide

C15H17N3O — CID 79140104

IUPACN-(1H-benzimidazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)C1C2CCCCC21
InChIInChI=1S/C15H17N3O/c19-14(13-9-5-1-2-6-10(9)13)18-15-16-11-7-3-4-8-12(11)17-15/h3-4,7-10,13H,1-2,5-6H2,(H2,16,17,18,19)
InChIKeyCUNTVTVTNXNKRN-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.94
Rot. Bonds2

About N-(1H-benzimidazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide

N-(1H-benzimidazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 79140104) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID79140104
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-(1H-benzimidazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)C1C2CCCCC21
InChIInChI=1S/C15H17N3O/c19-14(13-9-5-1-2-6-10(9)13)18-15-16-11-7-3-4-8-12(11)17-15/h3-4,7-10,13H,1-2,5-6H2,(H2,16,17,18,19)
InChIKeyCUNTVTVTNXNKRN-UHFFFAOYSA-N
XLogP2.94
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-benzimidazol-2-yl)-4-hydroxycyclohexane-1-carboxamide
CID 112528043
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CID 119261485
1-(1H-benzimidazol-2-yl)-3-cyclohexylurea
CID 4159955
N-(1H-benzimidazol-2-yl)-3-cyclopentylpropanamide
CID 4659981
N-(1H-benzimidazol-2-yl)-1,1-dioxothiolane-3-carboxamide
CID 18089285
(3R)-N-(1H-benzimidazol-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 40633944
N-(1H-benzimidazol-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76999436
N-(1H-benzimidazol-2-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 47044809
cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 840089
N-[2-(1H-benzimidazol-2-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79671903
N-(1H-benzimidazol-2-yl)-3-methyloxolane-2-carboxamide
CID 81448599
N-cyclooctyl-1H-benzimidazol-2-amine
CID 46784683

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide (CID 79140104) is N-(1H-benzimidazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide is O=C(Nc1nc2ccccc2[nH]1)C1C2CCCCC21.
What is the InChIKey of N-(1H-benzimidazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is CUNTVTVTNXNKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c19-14(13-9-5-1-2-6-10(9)13)18-15-16-11-7-3-4-8-12(11)17-15/h3-4,7-10,13H,1-2,5-6H2,(H2,16,17,18,19).
What are the key properties of N-(1H-benzimidazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide?
N-(1H-benzimidazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 79140104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).