N-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl)-2-(cyclohexylmethylcarbamoylamino)acetamide

C17H31N5O2 — CID 156598191

IUPACN-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl)-2-(cyclohexylmethylcarbamoylamino)acetamide
SMILESO=C(CNC(=O)NCC1CCCCC1)NC1NC2CCCCC2N1
InChIInChI=1S/C17H31N5O2/c23-15(22-16-20-13-8-4-5-9-14(13)21-16)11-19-17(24)18-10-12-6-2-1-3-7-12/h12-14,16,20-21H,1-11H2,(H,22,23)(H2,18,19,24)
InChIKeyBQOOXTGOARNYHM-UHFFFAOYSA-N
MW337.47 g/mol
LogP0.77
Rot. Bonds5

About N-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl)-2-(cyclohexylmethylcarbamoylamino)acetamide

N-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl)-2-(cyclohexylmethylcarbamoylamino)acetamide (PubChem CID 156598191) has the molecular formula C17H31N5O2 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl)-2-(cyclohexylmethylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl)-2-(cyclohexylmethylcarbamoylamino)acetamide
PubChem CID156598191
Molecular FormulaC17H31N5O2
Molecular Weight337.47 g/mol
Exact Mass337.25
IUPAC NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl)-2-(cyclohexylmethylcarbamoylamino)acetamide
SMILESO=C(CNC(=O)NCC1CCCCC1)NC1NC2CCCCC2N1
InChIInChI=1S/C17H31N5O2/c23-15(22-16-20-13-8-4-5-9-14(13)21-16)11-19-17(24)18-10-12-6-2-1-3-7-12/h12-14,16,20-21H,1-11H2,(H,22,23)(H2,18,19,24)
InChIKeyBQOOXTGOARNYHM-UHFFFAOYSA-N
XLogP0.77
TPSA94.29 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 50.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze N-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl)-2-(cyclohexylmethylcarbamoylamino)acetamide with MolForge

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Related Compounds

1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea
CID 155200065
2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]acetic acid
CID 61197830
1-(cyclooctylmethyl)-3-cyclopropylurea
CID 87025156
1-cyclododecyl-3-(cyclohexylmethyl)urea
CID 108902864
N-cyclohexyl-2-(cyclopentylcarbamoylamino)acetamide
CID 84516190
3-(cyclopentylmethylamino)-3-oxopropanoic acid
CID 62232432
1-(cycloheptylmethyl)-3-[(5-oxopyrrolidin-3-yl)methyl]urea
CID 128733061
1-(cycloheptylmethyl)-3-[[(3S)-5-oxopyrrolidin-3-yl]methyl]urea
CID 164636939
2-(azetidin-3-yl)-N-(cyclohexylmethyl)acetamide
CID 64615957
1-(cyclooctylmethyl)-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426766
4-(cycloheptylmethylcarbamoylamino)butanoic acid
CID 122016431
1-(cyclopentylmethyl)-3-propan-2-ylurea
CID 84521639

Frequently Asked Questions

What is the IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl)-2-(cyclohexylmethylcarbamoylamino)acetamide?
The IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl)-2-(cyclohexylmethylcarbamoylamino)acetamide (CID 156598191) is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl)-2-(cyclohexylmethylcarbamoylamino)acetamide.
What is the SMILES notation for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl)-2-(cyclohexylmethylcarbamoylamino)acetamide?
The canonical SMILES for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl)-2-(cyclohexylmethylcarbamoylamino)acetamide is O=C(CNC(=O)NCC1CCCCC1)NC1NC2CCCCC2N1.
What is the InChIKey of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl)-2-(cyclohexylmethylcarbamoylamino)acetamide?
The InChIKey is BQOOXTGOARNYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O2/c23-15(22-16-20-13-8-4-5-9-14(13)21-16)11-19-17(24)18-10-12-6-2-1-3-7-12/h12-14,16,20-21H,1-11H2,(H,22,23)(H2,18,19,24).
What are the key properties of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl)-2-(cyclohexylmethylcarbamoylamino)acetamide?
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl)-2-(cyclohexylmethylcarbamoylamino)acetamide has a molecular weight of 337.47 g/mol, XLogP of 0.77, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl)-2-(cyclohexylmethylcarbamoylamino)acetamide is sourced from PubChem (CID 156598191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).