(1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine

C22H25N3O — CID 97323098

IUPAC(1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
SMILESCC[C@H](NCc1nccn1Cc1ccccc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C22H25N3O/c1-2-20(18-8-9-21-19(14-18)10-13-26-21)24-15-22-23-11-12-25(22)16-17-6-4-3-5-7-17/h3-9,11-12,14,20,24H,2,10,13,15-16H2,1H3/t20-/m0/s1
InChIKeyCTTJZUJIIWYKNM-FQEVSTJZSA-N
MW347.46 g/mol
LogP4.11
Rot. Bonds7

About (1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine

(1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine (PubChem CID 97323098) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is (1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
PubChem CID97323098
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name(1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
SMILESCC[C@H](NCc1nccn1Cc1ccccc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C22H25N3O/c1-2-20(18-8-9-21-19(14-18)10-13-26-21)24-15-22-23-11-12-25(22)16-17-6-4-3-5-7-17/h3-9,11-12,14,20,24H,2,10,13,15-16H2,1H3/t20-/m0/s1
InChIKeyCTTJZUJIIWYKNM-FQEVSTJZSA-N
XLogP4.11
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine with MolForge

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Related Compounds

N-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 43757036
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine
CID 115708619
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 43754954
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114955137
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine
CID 43756597
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine
CID 43756451
(1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(3,5-difluorophenyl)ethanamine
CID 99626012
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylbutan-1-amine
CID 62693058
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-1-amine
CID 106391529
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)propan-1-amine
CID 43778443
1-(4-bromophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propan-1-amine
CID 43804336
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2,3-dimethylbutan-1-amine
CID 64568486

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine?
The IUPAC name of (1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine (CID 97323098) is (1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine.
What is the SMILES notation for (1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine?
The canonical SMILES for (1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine is CC[C@H](NCc1nccn1Cc1ccccc1)c1ccc2c(c1)CCO2.
What is the InChIKey of (1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine?
The InChIKey is CTTJZUJIIWYKNM-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25N3O/c1-2-20(18-8-9-21-19(14-18)10-13-26-21)24-15-22-23-11-12-25(22)16-17-6-4-3-5-7-17/h3-9,11-12,14,20,24H,2,10,13,15-16H2,1H3/t20-/m0/s1.
What are the key properties of (1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine?
(1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine has a molecular weight of 347.46 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine is sourced from PubChem (CID 97323098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).