4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine

C20H21N5O — CID 71968536

IUPAC4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESCn1ccnc1CC1CCCN(c2ncnc3c2oc2ccccc23)C1
InChIInChI=1S/C20H21N5O/c1-24-10-8-21-17(24)11-14-5-4-9-25(12-14)20-19-18(22-13-23-20)15-6-2-3-7-16(15)26-19/h2-3,6-8,10,13-14H,4-5,9,11-12H2,1H3
InChIKeyDMBHHFMWVGHYEE-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.57
Rot. Bonds3

About 4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine

4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 71968536) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID71968536
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESCn1ccnc1CC1CCCN(c2ncnc3c2oc2ccccc23)C1
InChIInChI=1S/C20H21N5O/c1-24-10-8-21-17(24)11-14-5-4-9-25(12-14)20-19-18(22-13-23-20)15-6-2-3-7-16(15)26-19/h2-3,6-8,10,13-14H,4-5,9,11-12H2,1H3
InChIKeyDMBHHFMWVGHYEE-UHFFFAOYSA-N
XLogP3.57
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 154794907
4-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 126800261
4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 660262
(3S)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-cycloheptylpiperidine-3-carboxamide
CID 92884501
4-[4-(2-phenylethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 35784873
6-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 90016593
1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133326963
(3S)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-(1-benzylpiperidin-4-yl)piperidine-3-carboxamide
CID 51661850
(3S)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 92897876
(2S)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 6546523
tert-butyl N-[[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 133300884
1-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 133285409

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine (CID 71968536) is 4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine is Cn1ccnc1CC1CCCN(c2ncnc3c2oc2ccccc23)C1.
What is the InChIKey of 4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is DMBHHFMWVGHYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-24-10-8-21-17(24)11-14-5-4-9-25(12-14)20-19-18(22-13-23-20)15-6-2-3-7-16(15)26-19/h2-3,6-8,10,13-14H,4-5,9,11-12H2,1H3.
What are the key properties of 4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 347.42 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 71968536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).