N-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]butyl]-2,3-dihydro-1H-inden-1-amine

C25H29N3O — CID 66960763

IUPACN-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]butyl]-2,3-dihydro-1H-inden-1-amine
SMILESCCC(=Cc1ccc(-n2cnc(C)c2)c(OC)c1)CNC1CCc2ccccc21
InChIInChI=1S/C25H29N3O/c1-4-19(15-26-23-11-10-21-7-5-6-8-22(21)23)13-20-9-12-24(25(14-20)29-3)28-16-18(2)27-17-28/h5-9,12-14,16-17,23,26H,4,10-11,15H2,1-3H3
InChIKeySBXAWRYNZYLVBU-UHFFFAOYSA-N
MW387.53 g/mol
LogP5.26
Rot. Bonds7

About N-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]butyl]-2,3-dihydro-1H-inden-1-amine

N-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]butyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 66960763) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is N-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]butyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]butyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID66960763
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC NameN-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]butyl]-2,3-dihydro-1H-inden-1-amine
SMILESCCC(=Cc1ccc(-n2cnc(C)c2)c(OC)c1)CNC1CCc2ccccc21
InChIInChI=1S/C25H29N3O/c1-4-19(15-26-23-11-10-21-7-5-6-8-22(21)23)13-20-9-12-24(25(14-20)29-3)28-16-18(2)27-17-28/h5-9,12-14,16-17,23,26H,4,10-11,15H2,1-3H3
InChIKeySBXAWRYNZYLVBU-UHFFFAOYSA-N
XLogP5.26
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 143760297
(E)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide
CID 25184480
(E)-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-methylprop-2-enamide
CID 87216300
(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[4-(4-methylimidazol-1-yl)-3-propoxyphenyl]prop-2-enamide
CID 88997184
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methylbut-3-enamide
CID 91032957
(2E)-1-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]butan-1-one
CID 59686502
(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[4-[4-(fluoromethyl)imidazol-1-yl]-3-methoxyphenyl]prop-2-enamide
CID 59170993
(E)-3-[3-but-2-ynoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide
CID 59170730
(2E)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]heptanamide
CID 71216457
ethyl (2Z)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pentanoate
CID 66960963
(1R,2S)-1-[[(E)-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methylbut-3-enyl]amino]-2,3-dihydro-1H-inden-2-ol;2,2,2-trifluoroacetic acid
CID 87216048
N-[(1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide
CID 123962202

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]butyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]butyl]-2,3-dihydro-1H-inden-1-amine (CID 66960763) is N-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]butyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]butyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]butyl]-2,3-dihydro-1H-inden-1-amine is CCC(=Cc1ccc(-n2cnc(C)c2)c(OC)c1)CNC1CCc2ccccc21.
What is the InChIKey of N-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]butyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is SBXAWRYNZYLVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-4-19(15-26-23-11-10-21-7-5-6-8-22(21)23)13-20-9-12-24(25(14-20)29-3)28-16-18(2)27-17-28/h5-9,12-14,16-17,23,26H,4,10-11,15H2,1-3H3.
What are the key properties of N-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]butyl]-2,3-dihydro-1H-inden-1-amine?
N-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]butyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 387.53 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]butyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 66960763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).