4-(3-aminopropyl)-1,3-dihydroimidazol-2-one

C6H11N3O — CID 11458001

IUPAC4-(3-aminopropyl)-1,3-dihydroimidazol-2-one
SMILESNCCCc1c[nH]c(=O)[nH]1
InChIInChI=1S/C6H11N3O/c7-3-1-2-5-4-8-6(10)9-5/h4H,1-3,7H2,(H2,8,9,10)
InChIKeyUSBRWBXMQCCBJH-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.41
Rot. Bonds3

About 4-(3-aminopropyl)-1,3-dihydroimidazol-2-one

4-(3-aminopropyl)-1,3-dihydroimidazol-2-one (PubChem CID 11458001) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-(3-aminopropyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(3-aminopropyl)-1,3-dihydroimidazol-2-one
PubChem CID11458001
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name4-(3-aminopropyl)-1,3-dihydroimidazol-2-one
SMILESNCCCc1c[nH]c(=O)[nH]1
InChIInChI=1S/C6H11N3O/c7-3-1-2-5-4-8-6(10)9-5/h4H,1-3,7H2,(H2,8,9,10)
InChIKeyUSBRWBXMQCCBJH-UHFFFAOYSA-N
XLogP-0.41
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dihydro-4-methyl-2H-imidazol-2-one
CID 70935
4-ethyl-2,3-dihydro-1H-imidazol-2-one
CID 15567528
4-propyl-1H-imidazol-2(3H)-one
CID 15567529
2-(2-Oxo-4-imidazolin-4-yl)ethylamine
CID 150871
4-Hexyl-4-imidazolin-2-one
CID 14572724
4-Pentyl-1,3-dihydroimidazol-2-one
CID 14572723
1,4-Dibutylimidazol-2-one
CID 15405728
4-tert-butyl-1,3-dihydro-2H-imidazol-2-one
CID 17750060
3,5-dipropyl-1H-imidazol-2-one
CID 18384147
5-butyl-3-methyl-1H-imidazol-2-one
CID 18384537
5-butyl-3-ethyl-1H-imidazol-2-one
CID 18384768
5-butyl-3-pentyl-1H-imidazol-2-one
CID 18384821

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(3-aminopropyl)-1,3-dihydroimidazol-2-one (CID 11458001) is 4-(3-aminopropyl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(3-aminopropyl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(3-aminopropyl)-1,3-dihydroimidazol-2-one is NCCCc1c[nH]c(=O)[nH]1.
What is the InChIKey of 4-(3-aminopropyl)-1,3-dihydroimidazol-2-one?
The InChIKey is USBRWBXMQCCBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c7-3-1-2-5-4-8-6(10)9-5/h4H,1-3,7H2,(H2,8,9,10).
What are the key properties of 4-(3-aminopropyl)-1,3-dihydroimidazol-2-one?
4-(3-aminopropyl)-1,3-dihydroimidazol-2-one has a molecular weight of 141.17 g/mol, XLogP of -0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 11458001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).