N-[2,6-di(propan-2-yl)phenyl]pyrrolo[1,2-a]indol-4-imine

C23H24N2 — CID 46867838

IUPACN-[2,6-di(propan-2-yl)phenyl]pyrrolo[1,2-a]indol-4-imine
SMILESCC(C)c1cccc(C(C)C)c1/N=C1/c2ccccc2-n2cccc21
InChIInChI=1S/C23H24N2/c1-15(2)17-10-7-11-18(16(3)4)22(17)24-23-19-9-5-6-12-20(19)25-14-8-13-21(23)25/h5-16H,1-4H3/b24-23-
InChIKeyGACULPWJJFSDKB-VHXPQNKSSA-N
MW328.46 g/mol
LogP6.21
Rot. Bonds3

About N-[2,6-di(propan-2-yl)phenyl]pyrrolo[1,2-a]indol-4-imine

N-[2,6-di(propan-2-yl)phenyl]pyrrolo[1,2-a]indol-4-imine (PubChem CID 46867838) has the molecular formula C23H24N2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]pyrrolo[1,2-a]indol-4-imine.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]pyrrolo[1,2-a]indol-4-imine
PubChem CID46867838
Molecular FormulaC23H24N2
Molecular Weight328.46 g/mol
Exact Mass328.19
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]pyrrolo[1,2-a]indol-4-imine
SMILESCC(C)c1cccc(C(C)C)c1/N=C1/c2ccccc2-n2cccc21
InChIInChI=1S/C23H24N2/c1-15(2)17-10-7-11-18(16(3)4)22(17)24-23-19-9-5-6-12-20(19)25-14-8-13-21(23)25/h5-16H,1-4H3/b24-23-
InChIKeyGACULPWJJFSDKB-VHXPQNKSSA-N
XLogP6.21
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-pyrrolo[1,2-a]indol-4-ylidenehydrazine
CID 6254699
(E)-N-ethoxypyrrolo[1,2-a]indol-4-imine
CID 89064506
9-N,10-N-bis[2,6-di(propan-2-yl)phenyl]phenanthrene-9,10-diimine;oxolane
CID 139157818
N-[2,6-di(propan-2-yl)phenyl]-1,2,3,4-tetrahydrofluoren-9-imine
CID 46867979
[2,6-di(propan-2-yl)phenyl]iminotantalum
CID 10864957
1-N-(4-chlorophenyl)-2-N-[2,6-di(propan-2-yl)phenyl]acenaphthylene-1,2-diimine
CID 90084908
4-[[2-[2,6-di(propan-2-yl)phenyl]iminoacenaphthylen-1-ylidene]amino]-N,N-dimethylaniline
CID 90084884
1-N,2-N-bis[4-methyl-2,6-di(propan-2-yl)phenyl]acenaphthylene-1,2-diimine
CID 102242944
2-N-[2,6-di(propan-2-yl)phenyl]-1-N-[4-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine
CID 90086005
10-[2,6-di(propan-2-yl)anilino]phenanthren-9-olate;bis(10-[2,6-di(propan-2-yl)phenyl]iminophenanthren-9-one);iron
CID 139169523
1-N,2-N-bis[2,6-di(propan-2-yl)phenyl]acenaphthylene-1,2-diimine;1,4,6,7,8,9-hexabromodibenzo-p-dioxin-2,3-diolate;nickel(2+)
CID 87878787
[2,6-di(propan-2-yl)phenyl]iminotitanium(2+)
CID 11564443

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]pyrrolo[1,2-a]indol-4-imine?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]pyrrolo[1,2-a]indol-4-imine (CID 46867838) is N-[2,6-di(propan-2-yl)phenyl]pyrrolo[1,2-a]indol-4-imine.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]pyrrolo[1,2-a]indol-4-imine?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]pyrrolo[1,2-a]indol-4-imine is CC(C)c1cccc(C(C)C)c1/N=C1/c2ccccc2-n2cccc21.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]pyrrolo[1,2-a]indol-4-imine?
The InChIKey is GACULPWJJFSDKB-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H24N2/c1-15(2)17-10-7-11-18(16(3)4)22(17)24-23-19-9-5-6-12-20(19)25-14-8-13-21(23)25/h5-16H,1-4H3/b24-23-.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]pyrrolo[1,2-a]indol-4-imine?
N-[2,6-di(propan-2-yl)phenyl]pyrrolo[1,2-a]indol-4-imine has a molecular weight of 328.46 g/mol, XLogP of 6.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]pyrrolo[1,2-a]indol-4-imine is sourced from PubChem (CID 46867838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).