5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one

C12H17N3O — CID 43200626

IUPAC5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)NC(C)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C12H17N3O/c1-7(2)13-8(3)9-4-5-10-11(6-9)15-12(16)14-10/h4-8,13H,1-3H3,(H2,14,15,16)
InChIKeyBGTWKWGNESZKEQ-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.92
Rot. Bonds3

About 5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one

5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43200626) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID43200626
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)NC(C)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C12H17N3O/c1-7(2)13-8(3)9-4-5-10-11(6-9)15-12(16)14-10/h4-8,13H,1-3H3,(H2,14,15,16)
InChIKeyBGTWKWGNESZKEQ-UHFFFAOYSA-N
XLogP1.92
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-(pentan-3-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43204325
5-[1-(4-methylpentan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43371810
5-[1-(1-thiophen-3-ylethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 62090338
3-methyl-2-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]butanamide
CID 106344304
5-[1-(4-ethylsulfanylbutan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 115898545
5-(1-chloroethyl)-1,3-dihydrobenzimidazol-2-one
CID 61083756
5-[1-(4-fluoroanilino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43201319
5-[1-(cyclopentylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43370774
5-[1-(cyclopentyloxyamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 83229540
5-[1-(4-iodoanilino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43124298
5-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 61473489
5-[1-[(1-methylcyclopentyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 63822548

Frequently Asked Questions

What is the IUPAC name of 5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one (CID 43200626) is 5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one is CC(C)NC(C)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is BGTWKWGNESZKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-7(2)13-8(3)9-4-5-10-11(6-9)15-12(16)14-10/h4-8,13H,1-3H3,(H2,14,15,16).
What are the key properties of 5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 219.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43200626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).