6-[1-(aminomethyl)cyclohexyl]-3-propan-2-yl-1H-benzimidazol-2-one

C17H25N3O — CID 117464116

IUPAC6-[1-(aminomethyl)cyclohexyl]-3-propan-2-yl-1H-benzimidazol-2-one
SMILESCC(C)n1c(=O)[nH]c2cc(C3(CN)CCCCC3)ccc21
InChIInChI=1S/C17H25N3O/c1-12(2)20-15-7-6-13(10-14(15)19-16(20)21)17(11-18)8-4-3-5-9-17/h6-7,10,12H,3-5,8-9,11,18H2,1-2H3,(H,19,21)
InChIKeyXWAFLQHUKUMIGK-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.07
Rot. Bonds3

About 6-[1-(aminomethyl)cyclohexyl]-3-propan-2-yl-1H-benzimidazol-2-one

6-[1-(aminomethyl)cyclohexyl]-3-propan-2-yl-1H-benzimidazol-2-one (PubChem CID 117464116) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 6-[1-(aminomethyl)cyclohexyl]-3-propan-2-yl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-[1-(aminomethyl)cyclohexyl]-3-propan-2-yl-1H-benzimidazol-2-one
PubChem CID117464116
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name6-[1-(aminomethyl)cyclohexyl]-3-propan-2-yl-1H-benzimidazol-2-one
SMILESCC(C)n1c(=O)[nH]c2cc(C3(CN)CCCCC3)ccc21
InChIInChI=1S/C17H25N3O/c1-12(2)20-15-7-6-13(10-14(15)19-16(20)21)17(11-18)8-4-3-5-9-17/h6-7,10,12H,3-5,8-9,11,18H2,1-2H3,(H,19,21)
InChIKeyXWAFLQHUKUMIGK-UHFFFAOYSA-N
XLogP3.07
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-aminocyclohexyl)-3-propan-2-yl-1H-benzimidazol-2-one
CID 117436491
6-methyl-3-propan-2-yl-1H-benzimidazol-2-one
CID 67560212
[1-(1H-indol-6-yl)cyclohexyl]methanamine
CID 82618652
6-(1-aminocyclopentyl)-3-methyl-1H-benzimidazol-2-one
CID 117334570
[1-(1-methylindol-5-yl)cyclohexyl]methanamine
CID 117358358
6-(2-hydroxyethyl)-3-propan-2-yl-1H-benzimidazol-2-one
CID 117314387
3-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 4555935
[1-(3,4-dimethylphenyl)cyclohexyl]methanamine
CID 62899225
5-[1-(aminomethyl)cyclohexyl]-1,3-dihydroindol-2-one
CID 82497597
[1-(9H-carbazol-3-yl)cyclopentyl]methanamine
CID 117415895
[1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclohexyl]methanamine
CID 117454052
[1-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)cyclohexyl]methanamine
CID 117436747

Frequently Asked Questions

What is the IUPAC name of 6-[1-(aminomethyl)cyclohexyl]-3-propan-2-yl-1H-benzimidazol-2-one?
The IUPAC name of 6-[1-(aminomethyl)cyclohexyl]-3-propan-2-yl-1H-benzimidazol-2-one (CID 117464116) is 6-[1-(aminomethyl)cyclohexyl]-3-propan-2-yl-1H-benzimidazol-2-one.
What is the SMILES notation for 6-[1-(aminomethyl)cyclohexyl]-3-propan-2-yl-1H-benzimidazol-2-one?
The canonical SMILES for 6-[1-(aminomethyl)cyclohexyl]-3-propan-2-yl-1H-benzimidazol-2-one is CC(C)n1c(=O)[nH]c2cc(C3(CN)CCCCC3)ccc21.
What is the InChIKey of 6-[1-(aminomethyl)cyclohexyl]-3-propan-2-yl-1H-benzimidazol-2-one?
The InChIKey is XWAFLQHUKUMIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12(2)20-15-7-6-13(10-14(15)19-16(20)21)17(11-18)8-4-3-5-9-17/h6-7,10,12H,3-5,8-9,11,18H2,1-2H3,(H,19,21).
What are the key properties of 6-[1-(aminomethyl)cyclohexyl]-3-propan-2-yl-1H-benzimidazol-2-one?
6-[1-(aminomethyl)cyclohexyl]-3-propan-2-yl-1H-benzimidazol-2-one has a molecular weight of 287.41 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(aminomethyl)cyclohexyl]-3-propan-2-yl-1H-benzimidazol-2-one is sourced from PubChem (CID 117464116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).