1-[N-(imidazo[1,2-a]pyridin-2-ylmethyl)anilino]butan-2-ol

C18H21N3O — CID 110931014

IUPAC1-[N-(imidazo[1,2-a]pyridin-2-ylmethyl)anilino]butan-2-ol
SMILESCCC(O)CN(Cc1cn2ccccc2n1)c1ccccc1
InChIInChI=1S/C18H21N3O/c1-2-17(22)14-21(16-8-4-3-5-9-16)13-15-12-20-11-7-6-10-18(20)19-15/h3-12,17,22H,2,13-14H2,1H3
InChIKeyANNNLIRHQWREJE-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.11
Rot. Bonds6

About 1-[N-(imidazo[1,2-a]pyridin-2-ylmethyl)anilino]butan-2-ol

1-[N-(imidazo[1,2-a]pyridin-2-ylmethyl)anilino]butan-2-ol (PubChem CID 110931014) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-[N-(imidazo[1,2-a]pyridin-2-ylmethyl)anilino]butan-2-ol.

Molecular Properties

Compound Name1-[N-(imidazo[1,2-a]pyridin-2-ylmethyl)anilino]butan-2-ol
PubChem CID110931014
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-[N-(imidazo[1,2-a]pyridin-2-ylmethyl)anilino]butan-2-ol
SMILESCCC(O)CN(Cc1cn2ccccc2n1)c1ccccc1
InChIInChI=1S/C18H21N3O/c1-2-17(22)14-21(16-8-4-3-5-9-16)13-15-12-20-11-7-6-10-18(20)19-15/h3-12,17,22H,2,13-14H2,1H3
InChIKeyANNNLIRHQWREJE-UHFFFAOYSA-N
XLogP3.11
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)ethanamine
CID 4701920
(2S)-1-[N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]anilino]butan-2-ol
CID 99630819
N-[4-[bis(imidazo[1,2-a]pyridin-2-ylmethyl)amino]phenyl]acetamide
CID 3400889
1-[N-(1,2-oxazol-3-ylmethyl)anilino]butan-2-ol
CID 111448240
2-[ethyl(imidazo[1,2-a]pyridin-2-ylmethyl)amino]acetic acid
CID 54900006
3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]-2-methylpropanethioamide
CID 54992223
ethane;imidazo[1,2-a]pyridin-2-ylmethanol
CID 91126513
4-imidazo[1,2-a]pyridin-2-yl-3-methylbutan-2-ol
CID 79422982
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N,3-dimethylaniline
CID 53171811
2-[2-(dimethylamino)ethyl-(imidazo[1,2-a]pyridin-2-ylmethyl)amino]acetic acid
CID 107425654
2-chloro-N-ethyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)ethanamine
CID 63387084
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpentan-3-amine
CID 61469725

Frequently Asked Questions

What is the IUPAC name of 1-[N-(imidazo[1,2-a]pyridin-2-ylmethyl)anilino]butan-2-ol?
The IUPAC name of 1-[N-(imidazo[1,2-a]pyridin-2-ylmethyl)anilino]butan-2-ol (CID 110931014) is 1-[N-(imidazo[1,2-a]pyridin-2-ylmethyl)anilino]butan-2-ol.
What is the SMILES notation for 1-[N-(imidazo[1,2-a]pyridin-2-ylmethyl)anilino]butan-2-ol?
The canonical SMILES for 1-[N-(imidazo[1,2-a]pyridin-2-ylmethyl)anilino]butan-2-ol is CCC(O)CN(Cc1cn2ccccc2n1)c1ccccc1.
What is the InChIKey of 1-[N-(imidazo[1,2-a]pyridin-2-ylmethyl)anilino]butan-2-ol?
The InChIKey is ANNNLIRHQWREJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-2-17(22)14-21(16-8-4-3-5-9-16)13-15-12-20-11-7-6-10-18(20)19-15/h3-12,17,22H,2,13-14H2,1H3.
What are the key properties of 1-[N-(imidazo[1,2-a]pyridin-2-ylmethyl)anilino]butan-2-ol?
1-[N-(imidazo[1,2-a]pyridin-2-ylmethyl)anilino]butan-2-ol has a molecular weight of 295.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N-(imidazo[1,2-a]pyridin-2-ylmethyl)anilino]butan-2-ol is sourced from PubChem (CID 110931014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).