N-[1-(furan-2-yl)propan-2-yl]-3-imidazol-1-ylaniline

C16H17N3O — CID 63100284

IUPACN-[1-(furan-2-yl)propan-2-yl]-3-imidazol-1-ylaniline
SMILESCC(Cc1ccco1)Nc1cccc(-n2ccnc2)c1
InChIInChI=1S/C16H17N3O/c1-13(10-16-6-3-9-20-16)18-14-4-2-5-15(11-14)19-8-7-17-12-19/h2-9,11-13,18H,10H2,1H3
InChIKeyCTZJRGOOEVMUSC-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.51
Rot. Bonds5

About N-[1-(furan-2-yl)propan-2-yl]-3-imidazol-1-ylaniline

N-[1-(furan-2-yl)propan-2-yl]-3-imidazol-1-ylaniline (PubChem CID 63100284) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-3-imidazol-1-ylaniline.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]-3-imidazol-1-ylaniline
PubChem CID63100284
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]-3-imidazol-1-ylaniline
SMILESCC(Cc1ccco1)Nc1cccc(-n2ccnc2)c1
InChIInChI=1S/C16H17N3O/c1-13(10-16-6-3-9-20-16)18-14-4-2-5-15(11-14)19-8-7-17-12-19/h2-9,11-13,18H,10H2,1H3
InChIKeyCTZJRGOOEVMUSC-UHFFFAOYSA-N
XLogP3.51
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-hexan-2-yl-3-imidazol-1-ylaniline
CID 43779875
N-[1-(furan-2-yl)propan-2-yl]pyridin-4-amine
CID 61043048
3-imidazol-1-yl-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534254
4-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62864444
N-hexan-3-yl-3-imidazol-1-ylaniline
CID 103936283
3-[1-(furan-2-yl)propan-2-ylamino]benzoic acid
CID 63098734
N-[1-(furan-2-yl)propan-2-yl]-3,4-dimethoxyaniline
CID 63099420
N-(dicyclopropylmethyl)-3-imidazol-1-ylaniline
CID 43678392
6-bromo-N-[1-(furan-2-yl)propan-2-yl]naphthalen-2-amine
CID 81260554
N-[1-(furan-2-yl)propan-2-yl]-5-methylpyridin-3-amine
CID 107584649
N-[1-(furan-2-yl)propan-2-yl]-3,5-dimethylaniline
CID 63099916
4-[1-(furan-2-yl)propan-2-ylamino]-N,N-dimethylpyridine-2-carboxamide
CID 61043893

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-3-imidazol-1-ylaniline?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-3-imidazol-1-ylaniline (CID 63100284) is N-[1-(furan-2-yl)propan-2-yl]-3-imidazol-1-ylaniline.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-3-imidazol-1-ylaniline?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-3-imidazol-1-ylaniline is CC(Cc1ccco1)Nc1cccc(-n2ccnc2)c1.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-3-imidazol-1-ylaniline?
The InChIKey is CTZJRGOOEVMUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-13(10-16-6-3-9-20-16)18-14-4-2-5-15(11-14)19-8-7-17-12-19/h2-9,11-13,18H,10H2,1H3.
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-3-imidazol-1-ylaniline?
N-[1-(furan-2-yl)propan-2-yl]-3-imidazol-1-ylaniline has a molecular weight of 267.33 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propan-2-yl]-3-imidazol-1-ylaniline is sourced from PubChem (CID 63100284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).