2-[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]-N-methylpropan-2-amine

C16H21N3O — CID 114708234

IUPAC2-[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cncn1CC1Cc2ccccc2O1
InChIInChI=1S/C16H21N3O/c1-16(2,17-3)15-9-18-11-19(15)10-13-8-12-6-4-5-7-14(12)20-13/h4-7,9,11,13,17H,8,10H2,1-3H3
InChIKeySPINNCGPSLKNQI-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.34
Rot. Bonds4

About 2-[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]-N-methylpropan-2-amine

2-[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]-N-methylpropan-2-amine (PubChem CID 114708234) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]-N-methylpropan-2-amine
PubChem CID114708234
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cncn1CC1Cc2ccccc2O1
InChIInChI=1S/C16H21N3O/c1-16(2,17-3)15-9-18-11-19(15)10-13-8-12-6-4-5-7-14(12)20-13/h4-7,9,11,13,17H,8,10H2,1-3H3
InChIKeySPINNCGPSLKNQI-UHFFFAOYSA-N
XLogP2.34
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidin-4-one
CID 99610232
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylimidazol-2-amine
CID 106569578
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-2-amine
CID 106569539
2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]-N-methylethanamine
CID 79984925
[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpyrrol-3-yl]methanamine
CID 114195982
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine
CID 66363591
2-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]-N-methylpropan-2-amine
CID 114708261
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-N-methylmethanamine
CID 66404078
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-(ethylamino)pyridazin-3-one
CID 103218917
2-[3-(2-ethoxyethyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114707924
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine
CID 105359620
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylpyrimidin-2-amine
CID 63208579

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]-N-methylpropan-2-amine?
The IUPAC name of 2-[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]-N-methylpropan-2-amine (CID 114708234) is 2-[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 2-[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]-N-methylpropan-2-amine?
The canonical SMILES for 2-[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]-N-methylpropan-2-amine is CNC(C)(C)c1cncn1CC1Cc2ccccc2O1.
What is the InChIKey of 2-[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]-N-methylpropan-2-amine?
The InChIKey is SPINNCGPSLKNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-16(2,17-3)15-9-18-11-19(15)10-13-8-12-6-4-5-7-14(12)20-13/h4-7,9,11,13,17H,8,10H2,1-3H3.
What are the key properties of 2-[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]-N-methylpropan-2-amine?
2-[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]-N-methylpropan-2-amine has a molecular weight of 271.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 114708234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).