5-[2-cyclopropyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one

C14H19N3O — CID 83153990

IUPAC5-[2-cyclopropyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNC(c1ccc2[nH]c(=O)[nH]c2c1)C(C)C1CC1
InChIInChI=1S/C14H19N3O/c1-8(9-3-4-9)13(15-2)10-5-6-11-12(7-10)17-14(18)16-11/h5-9,13,15H,3-4H2,1-2H3,(H2,16,17,18)
InChIKeyKGNHLNBCWVKRMW-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.16
Rot. Bonds4

About 5-[2-cyclopropyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one

5-[2-cyclopropyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 83153990) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-[2-cyclopropyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-cyclopropyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID83153990
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-[2-cyclopropyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNC(c1ccc2[nH]c(=O)[nH]c2c1)C(C)C1CC1
InChIInChI=1S/C14H19N3O/c1-8(9-3-4-9)13(15-2)10-5-6-11-12(7-10)17-14(18)16-11/h5-9,13,15H,3-4H2,1-2H3,(H2,16,17,18)
InChIKeyKGNHLNBCWVKRMW-UHFFFAOYSA-N
XLogP2.16
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-cyclopropyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-cyclopropyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one (CID 83153990) is 5-[2-cyclopropyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-cyclopropyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-cyclopropyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one is CNC(c1ccc2[nH]c(=O)[nH]c2c1)C(C)C1CC1.
What is the InChIKey of 5-[2-cyclopropyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is KGNHLNBCWVKRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-8(9-3-4-9)13(15-2)10-5-6-11-12(7-10)17-14(18)16-11/h5-9,13,15H,3-4H2,1-2H3,(H2,16,17,18).
What are the key properties of 5-[2-cyclopropyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one?
5-[2-cyclopropyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 245.33 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyclopropyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 83153990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).