[1-(2-aminoethyl)imidazol-4-yl]-(7-chloro-1-benzofuran-2-yl)methanone

C14H12ClN3O2 — CID 107501425

IUPAC[1-(2-aminoethyl)imidazol-4-yl]-(7-chloro-1-benzofuran-2-yl)methanone
SMILESNCCn1cnc(C(=O)c2cc3cccc(Cl)c3o2)c1
InChIInChI=1S/C14H12ClN3O2/c15-10-3-1-2-9-6-12(20-14(9)10)13(19)11-7-18(5-4-16)8-17-11/h1-3,6-8H,4-5,16H2
InChIKeySUIMRKJOSBSDBV-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.47
Rot. Bonds4

About [1-(2-aminoethyl)imidazol-4-yl]-(7-chloro-1-benzofuran-2-yl)methanone

[1-(2-aminoethyl)imidazol-4-yl]-(7-chloro-1-benzofuran-2-yl)methanone (PubChem CID 107501425) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is [1-(2-aminoethyl)imidazol-4-yl]-(7-chloro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[1-(2-aminoethyl)imidazol-4-yl]-(7-chloro-1-benzofuran-2-yl)methanone
PubChem CID107501425
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name[1-(2-aminoethyl)imidazol-4-yl]-(7-chloro-1-benzofuran-2-yl)methanone
SMILESNCCn1cnc(C(=O)c2cc3cccc(Cl)c3o2)c1
InChIInChI=1S/C14H12ClN3O2/c15-10-3-1-2-9-6-12(20-14(9)10)13(19)11-7-18(5-4-16)8-17-11/h1-3,6-8H,4-5,16H2
InChIKeySUIMRKJOSBSDBV-UHFFFAOYSA-N
XLogP2.47
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-aminoethyl)imidazol-4-yl]-(2,6-difluorophenyl)methanone
CID 107501399
4-amino-1-(7-chloro-1-benzofuran-2-yl)butan-1-one
CID 114736248
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2,5-difluorophenyl)methanone
CID 115810891
[1-(2-aminoethyl)imidazol-4-yl]-(2-ethylpyrazol-3-yl)methanone
CID 107501467
(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanone
CID 114725112
(3-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 114726075
2-[4-(7-chloro-1,3-benzothiazol-2-yl)imidazol-1-yl]ethanamine
CID 107495958
(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 112614525
benzyl 1-(2-aminoethyl)imidazole-4-carboxylate
CID 107499261
(7-chloro-1-benzofuran-2-yl)-(3,5-dibromo-2-pyridinyl)methanone
CID 114726081
2-(aminomethyl)-1-(7-chloro-1-benzofuran-2-yl)butan-1-one
CID 114736660
[1-(2-aminoethyl)imidazol-4-yl]-(3-methylthiophen-2-yl)methanone
CID 107501641

Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoethyl)imidazol-4-yl]-(7-chloro-1-benzofuran-2-yl)methanone?
The IUPAC name of [1-(2-aminoethyl)imidazol-4-yl]-(7-chloro-1-benzofuran-2-yl)methanone (CID 107501425) is [1-(2-aminoethyl)imidazol-4-yl]-(7-chloro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [1-(2-aminoethyl)imidazol-4-yl]-(7-chloro-1-benzofuran-2-yl)methanone?
The canonical SMILES for [1-(2-aminoethyl)imidazol-4-yl]-(7-chloro-1-benzofuran-2-yl)methanone is NCCn1cnc(C(=O)c2cc3cccc(Cl)c3o2)c1.
What is the InChIKey of [1-(2-aminoethyl)imidazol-4-yl]-(7-chloro-1-benzofuran-2-yl)methanone?
The InChIKey is SUIMRKJOSBSDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c15-10-3-1-2-9-6-12(20-14(9)10)13(19)11-7-18(5-4-16)8-17-11/h1-3,6-8H,4-5,16H2.
What are the key properties of [1-(2-aminoethyl)imidazol-4-yl]-(7-chloro-1-benzofuran-2-yl)methanone?
[1-(2-aminoethyl)imidazol-4-yl]-(7-chloro-1-benzofuran-2-yl)methanone has a molecular weight of 289.72 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoethyl)imidazol-4-yl]-(7-chloro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 107501425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).