1-(1-benzofuran-3-ylmethyl)imidazol-2-amine

C12H11N3O — CID 80702895

IUPAC1-(1-benzofuran-3-ylmethyl)imidazol-2-amine
SMILESNc1nccn1Cc1coc2ccccc12
InChIInChI=1S/C12H11N3O/c13-12-14-5-6-15(12)7-9-8-16-11-4-2-1-3-10(9)11/h1-6,8H,7H2,(H2,13,14)
InChIKeyKSAANWGHKBBRGC-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.26
Rot. Bonds2

About 1-(1-benzofuran-3-ylmethyl)imidazol-2-amine

1-(1-benzofuran-3-ylmethyl)imidazol-2-amine (PubChem CID 80702895) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 1-(1-benzofuran-3-ylmethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(1-benzofuran-3-ylmethyl)imidazol-2-amine
PubChem CID80702895
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name1-(1-benzofuran-3-ylmethyl)imidazol-2-amine
SMILESNc1nccn1Cc1coc2ccccc12
InChIInChI=1S/C12H11N3O/c13-12-14-5-6-15(12)7-9-8-16-11-4-2-1-3-10(9)11/h1-6,8H,7H2,(H2,13,14)
InChIKeyKSAANWGHKBBRGC-UHFFFAOYSA-N
XLogP2.26
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Imidazole, 2-(2-benzofuranyl)-1-methyl-, monohydrochloride
CID 3073597
1H-Imidazole, 2-(2-benofuranyl)-1-ethyl-, monohydrochloride
CID 3073603
Acrylic acid derivative, 11
CID 10200281
1-[2-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethyl]-1H-imidazole
CID 10608774
Azole, 6
CID 53348136
4-[2-(2-Imidazol-1-yl-ethyl)-benzofuran-5-yl]-benzonitrile
CID 10086941
4-(Imidazol-1-ylmethyl)-2,3-dimethyl-1-benzofuran-7-carbonitrile
CID 23365315
2-Furan-3-yl-5-imidazol-1-ylmethyl-pyridine
CID 57329785
1-{2-[(4Z)-4,5,6,7-tetrahydro-1-benzofuran-4-ylidene]ethyl}-1H-imidazole
CID 10680142
1-{2-[(4E)-4,5,6,7-tetrahydro-1-benzofuran-4-ylidene]ethyl}-1H-imidazole
CID 10774996
1-(5-Phenyl-furan-2-ylmethyl)-1H-imidazole
CID 53316510
2-[2-Ethyl-3-[(2-phenyl-1-benzofuran-3-yl)methyl]imidazol-3-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide
CID 71726796

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-ylmethyl)imidazol-2-amine?
The IUPAC name of 1-(1-benzofuran-3-ylmethyl)imidazol-2-amine (CID 80702895) is 1-(1-benzofuran-3-ylmethyl)imidazol-2-amine.
What is the SMILES notation for 1-(1-benzofuran-3-ylmethyl)imidazol-2-amine?
The canonical SMILES for 1-(1-benzofuran-3-ylmethyl)imidazol-2-amine is Nc1nccn1Cc1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-ylmethyl)imidazol-2-amine?
The InChIKey is KSAANWGHKBBRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c13-12-14-5-6-15(12)7-9-8-16-11-4-2-1-3-10(9)11/h1-6,8H,7H2,(H2,13,14).
What are the key properties of 1-(1-benzofuran-3-ylmethyl)imidazol-2-amine?
1-(1-benzofuran-3-ylmethyl)imidazol-2-amine has a molecular weight of 213.24 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-ylmethyl)imidazol-2-amine is sourced from PubChem (CID 80702895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).