4-[(E)-3-aminoprop-1-enyl]-1,3-dihydrobenzimidazol-2-one

C10H11N3O — CID 117281464

IUPAC4-[(E)-3-aminoprop-1-enyl]-1,3-dihydrobenzimidazol-2-one
SMILESNC/C=C/c1cccc2[nH]c(=O)[nH]c12
InChIInChI=1S/C10H11N3O/c11-6-2-4-7-3-1-5-8-9(7)13-10(14)12-8/h1-5H,6,11H2,(H2,12,13,14)/b4-2+
InChIKeyLXUJBZTZSSGMSF-DUXPYHPUSA-N
MW189.22 g/mol
LogP0.83
Rot. Bonds2

About 4-[(E)-3-aminoprop-1-enyl]-1,3-dihydrobenzimidazol-2-one

4-[(E)-3-aminoprop-1-enyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 117281464) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-[(E)-3-aminoprop-1-enyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name4-[(E)-3-aminoprop-1-enyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID117281464
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name4-[(E)-3-aminoprop-1-enyl]-1,3-dihydrobenzimidazol-2-one
SMILESNC/C=C/c1cccc2[nH]c(=O)[nH]c12
InChIInChI=1S/C10H11N3O/c11-6-2-4-7-3-1-5-8-9(7)13-10(14)12-8/h1-5H,6,11H2,(H2,12,13,14)/b4-2+
InChIKeyLXUJBZTZSSGMSF-DUXPYHPUSA-N
XLogP0.83
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-1,3-dihydrobenzimidazol-2-one
CID 22745267
3-(1H-benzimidazol-4-yl)prop-2-en-1-amine
CID 169463683
8-pent-1-enyl-1H-quinazoline-2,4-dione
CID 54140052
6-(3-aminoprop-1-enyl)-1H-quinazoline-2,4-dione
CID 169464266
4-[1-(aminomethyl)cyclohexyl]-1,3-dihydrobenzimidazol-2-one
CID 117365497
2-(3-aminoprop-1-enyl)aniline
CID 67152713
[(E)-2-(2,3-dioxo-1,4-dihydroquinoxalin-5-yl)ethenyl]phosphonic acid
CID 67641592
3-[(E)-3-aminoprop-1-enyl]-2-methylphenol
CID 117276201
(E)-3-(3-chloro-2H-indazol-7-yl)prop-2-en-1-amine
CID 117296994
4-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 117283002
6-amino-1,3-dihydrobenzo[e]benzimidazol-2-one
CID 45078064
(E)-3-(2-chloro-3-methylphenyl)prop-2-en-1-amine
CID 117278991

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-aminoprop-1-enyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 4-[(E)-3-aminoprop-1-enyl]-1,3-dihydrobenzimidazol-2-one (CID 117281464) is 4-[(E)-3-aminoprop-1-enyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 4-[(E)-3-aminoprop-1-enyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 4-[(E)-3-aminoprop-1-enyl]-1,3-dihydrobenzimidazol-2-one is NC/C=C/c1cccc2[nH]c(=O)[nH]c12.
What is the InChIKey of 4-[(E)-3-aminoprop-1-enyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is LXUJBZTZSSGMSF-DUXPYHPUSA-N. The full InChI is InChI=1S/C10H11N3O/c11-6-2-4-7-3-1-5-8-9(7)13-10(14)12-8/h1-5H,6,11H2,(H2,12,13,14)/b4-2+.
What are the key properties of 4-[(E)-3-aminoprop-1-enyl]-1,3-dihydrobenzimidazol-2-one?
4-[(E)-3-aminoprop-1-enyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 189.22 g/mol, XLogP of 0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-aminoprop-1-enyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 117281464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).