1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine

C16H23N3 — CID 43435582

IUPAC1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine
SMILESCC(Cn1ccnc1)NCc1ccc(C(C)C)cc1
InChIInChI=1S/C16H23N3/c1-13(2)16-6-4-15(5-7-16)10-18-14(3)11-19-9-8-17-12-19/h4-9,12-14,18H,10-11H2,1-3H3
InChIKeyBADRNQIYHKGDHY-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.18
Rot. Bonds6

About 1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine

1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine (PubChem CID 43435582) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine
PubChem CID43435582
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine
SMILESCC(Cn1ccnc1)NCc1ccc(C(C)C)cc1
InChIInChI=1S/C16H23N3/c1-13(2)16-6-4-15(5-7-16)10-18-14(3)11-19-9-8-17-12-19/h4-9,12-14,18H,10-11H2,1-3H3
InChIKeyBADRNQIYHKGDHY-UHFFFAOYSA-N
XLogP3.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol
CID 43435560
N-[(4-cyclopropylphenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 79979507
1-imidazol-1-yl-N-[(4-imidazol-1-ylphenyl)methyl]propan-2-amine
CID 43435620
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzamide
CID 43792002
1-imidazol-1-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine
CID 43749714
4-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 61069052
N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-imidazol-1-ylpropan-2-amine
CID 56703534
(2S)-N-[(3-bromo-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 51683999
1-imidazol-1-yl-N-[(1-propylpyrrol-3-yl)methyl]propan-2-amine
CID 66415546
[4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 56718318
(2R)-1-imidazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 38061791
1-imidazol-1-yl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 61212248

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine?
The IUPAC name of 1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine (CID 43435582) is 1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine?
The canonical SMILES for 1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine is CC(Cn1ccnc1)NCc1ccc(C(C)C)cc1.
What is the InChIKey of 1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine?
The InChIKey is BADRNQIYHKGDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-13(2)16-6-4-15(5-7-16)10-18-14(3)11-19-9-8-17-12-19/h4-9,12-14,18H,10-11H2,1-3H3.
What are the key properties of 1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine?
1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 43435582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).