5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydrobenzimidazol-2-one

C15H21N3O — CID 116926363

IUPAC5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNC1CCC(Cc2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C15H21N3O/c1-16-12-5-2-10(3-6-12)8-11-4-7-13-14(9-11)18-15(19)17-13/h4,7,9-10,12,16H,2-3,5-6,8H2,1H3,(H2,17,18,19)
InChIKeyGJULQRLAEVLVTP-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.18
Rot. Bonds3

About 5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydrobenzimidazol-2-one

5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 116926363) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID116926363
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNC1CCC(Cc2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C15H21N3O/c1-16-12-5-2-10(3-6-12)8-11-4-7-13-14(9-11)18-15(19)17-13/h4,7,9-10,12,16H,2-3,5-6,8H2,1H3,(H2,17,18,19)
InChIKeyGJULQRLAEVLVTP-UHFFFAOYSA-N
XLogP2.18
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-hydroxycyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116928496
5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydroindol-2-one
CID 116926337
5-[(methylsulfamoylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 22745215
N-methyl-4-[(6-methylnaphthalen-2-yl)methyl]cyclohexan-1-amine
CID 116926389
4-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926377
2-amino-5-[[4-(methylamino)cyclohexyl]methyl]benzenethiol
CID 116998405
5-(methylsulfonylmethyl)-1,3-dihydrobenzimidazol-2-one
CID 22745310
5-(methylsulfinylmethyl)-1,3-dihydrobenzimidazol-2-one
CID 22745192
4-[(4-tert-butylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926303
(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl N-methylcarbamate
CID 22745182
N-methyl-4-[(4-methylsulfanylphenyl)methyl]cyclohexan-1-amine
CID 116926358
5-[(4-aminocyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 79725031

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydrobenzimidazol-2-one (CID 116926363) is 5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydrobenzimidazol-2-one is CNC1CCC(Cc2ccc3[nH]c(=O)[nH]c3c2)CC1.
What is the InChIKey of 5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is GJULQRLAEVLVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-16-12-5-2-10(3-6-12)8-11-4-7-13-14(9-11)18-15(19)17-13/h4,7,9-10,12,16H,2-3,5-6,8H2,1H3,(H2,17,18,19).
What are the key properties of 5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydrobenzimidazol-2-one?
5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 116926363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).