5-[(5-bromofuran-2-yl)-(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one

C15H16BrN3O2 — CID 43496013

IUPAC5-[(5-bromofuran-2-yl)-(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCCCNC(c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Br)o1
InChIInChI=1S/C15H16BrN3O2/c1-2-7-17-14(12-5-6-13(16)21-12)9-3-4-10-11(8-9)19-15(20)18-10/h3-6,8,14,17H,2,7H2,1H3,(H2,18,19,20)
InChIKeyZEWLTFWXSVMNKE-UHFFFAOYSA-N
MW350.22 g/mol
LogP3.30
Rot. Bonds5

About 5-[(5-bromofuran-2-yl)-(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one

5-[(5-bromofuran-2-yl)-(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43496013) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 5-[(5-bromofuran-2-yl)-(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(5-bromofuran-2-yl)-(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID43496013
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name5-[(5-bromofuran-2-yl)-(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCCCNC(c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Br)o1
InChIInChI=1S/C15H16BrN3O2/c1-2-7-17-14(12-5-6-13(16)21-12)9-3-4-10-11(8-9)19-15(20)18-10/h3-6,8,14,17H,2,7H2,1H3,(H2,18,19,20)
InChIKeyZEWLTFWXSVMNKE-UHFFFAOYSA-N
XLogP3.30
TPSA73.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[propylamino(thiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43496016
5-[(5-bromofuran-2-yl)-chloromethyl]-1,3-dihydrobenzimidazol-2-one
CID 61085785
N-[(5-bromofuran-2-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine
CID 43495744
N-[(5-bromofuran-2-yl)-(3-ethylphenyl)methyl]propan-1-amine
CID 105018504
5-[(5-ethylfuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 79096507
5-[2,2-dimethyl-1-(propylamino)butyl]-1,3-dihydrobenzimidazol-2-one
CID 62679554
5-[1-(propylamino)pentyl]-1,3-dihydrobenzimidazol-2-one
CID 43496018
N-[(5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methyl]propan-1-amine
CID 81323088
N-[(5-bromofuran-2-yl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 43496337
N-[(5-bromofuran-2-yl)-quinolin-3-ylmethyl]propan-1-amine
CID 115797770
6-[1-(propylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43495873
5-[oxolan-3-yl(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61276462

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromofuran-2-yl)-(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(5-bromofuran-2-yl)-(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one (CID 43496013) is 5-[(5-bromofuran-2-yl)-(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(5-bromofuran-2-yl)-(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(5-bromofuran-2-yl)-(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one is CCCNC(c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Br)o1.
What is the InChIKey of 5-[(5-bromofuran-2-yl)-(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is ZEWLTFWXSVMNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c1-2-7-17-14(12-5-6-13(16)21-12)9-3-4-10-11(8-9)19-15(20)18-10/h3-6,8,14,17H,2,7H2,1H3,(H2,18,19,20).
What are the key properties of 5-[(5-bromofuran-2-yl)-(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[(5-bromofuran-2-yl)-(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 350.22 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromofuran-2-yl)-(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43496013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).