5-[(4-propan-2-ylcycloheptyl)amino]-1,3-dihydrobenzimidazol-2-one

C17H25N3O — CID 65087780

IUPAC5-[(4-propan-2-ylcycloheptyl)amino]-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)C1CCCC(Nc2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C17H25N3O/c1-11(2)12-4-3-5-13(7-6-12)18-14-8-9-15-16(10-14)20-17(21)19-15/h8-13,18H,3-7H2,1-2H3,(H2,19,20,21)
InChIKeyQGHZRBNTQLICKW-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.87
Rot. Bonds3

About 5-[(4-propan-2-ylcycloheptyl)amino]-1,3-dihydrobenzimidazol-2-one

5-[(4-propan-2-ylcycloheptyl)amino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 65087780) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 5-[(4-propan-2-ylcycloheptyl)amino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(4-propan-2-ylcycloheptyl)amino]-1,3-dihydrobenzimidazol-2-one
PubChem CID65087780
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name5-[(4-propan-2-ylcycloheptyl)amino]-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)C1CCCC(Nc2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C17H25N3O/c1-11(2)12-4-3-5-13(7-6-12)18-14-8-9-15-16(10-14)20-17(21)19-15/h8-13,18H,3-7H2,1-2H3,(H2,19,20,21)
InChIKeyQGHZRBNTQLICKW-UHFFFAOYSA-N
XLogP3.87
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-{[(4-fluorophenyl)methyl]amino}-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 590528
5-{[(2-fluorophenyl)methyl]amino}-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 3162122
3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-1-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea
CID 2349729
5-Amino-1,3-diethyl-1,3-dihydro-benzoimidazol-2-one hydrochloride
CID 2983395
6-anilino-3-(cyclohexylmethyl)-1H-benzimidazol-2-one
CID 9840120
1-(1-Cyclooctylmethyl-piperidin-4-yl)-1,3-dihydro-benzoimidazol-2-one
CID 10783436
(R)-1-ethyl-3-(3-(methylamino)-1-phenylpropyl)-1H-benzo[d]imidazol-2(3H)-one
CID 16067641
(R)-1-cyclopropyl-3-(3-(methylamino)-1-phenylpropyl)-1H-benzo[d]imidazol-2(3H)-one
CID 16067643
(R)-1-isopropyl-3-(3-(methylamino)-1-phenylpropyl)-1H-benzo[d]imidazol-2(3H)-one
CID 16067645
(S)-1-(3-(methylamino)-1-phenylpropyl)-3-propyl-1H-benzo[d]imidazol-2(3H)-one
CID 16067646
(R)-1-(3-(methylamino)-1-phenylpropyl)-3-propyl-1H-benzo[d]imidazol-2(3H)-one
CID 16067647
(R)-1-methyl-3-(3-(methylamino)-1-phenylpropyl)-1H-benzo[d]imidazol-2(3H)-one
CID 16067731

Frequently Asked Questions

What is the IUPAC name of 5-[(4-propan-2-ylcycloheptyl)amino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(4-propan-2-ylcycloheptyl)amino]-1,3-dihydrobenzimidazol-2-one (CID 65087780) is 5-[(4-propan-2-ylcycloheptyl)amino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(4-propan-2-ylcycloheptyl)amino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(4-propan-2-ylcycloheptyl)amino]-1,3-dihydrobenzimidazol-2-one is CC(C)C1CCCC(Nc2ccc3[nH]c(=O)[nH]c3c2)CC1.
What is the InChIKey of 5-[(4-propan-2-ylcycloheptyl)amino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is QGHZRBNTQLICKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-11(2)12-4-3-5-13(7-6-12)18-14-8-9-15-16(10-14)20-17(21)19-15/h8-13,18H,3-7H2,1-2H3,(H2,19,20,21).
What are the key properties of 5-[(4-propan-2-ylcycloheptyl)amino]-1,3-dihydrobenzimidazol-2-one?
5-[(4-propan-2-ylcycloheptyl)amino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 287.41 g/mol, XLogP of 3.87, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-propan-2-ylcycloheptyl)amino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 65087780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).