2-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]pyrimidine

C16H19N7 — CID 70753087

IUPAC2-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]pyrimidine
SMILESCc1[nH]cnc1-c1nccn1C1CCCN(c2ncccn2)C1
InChIInChI=1S/C16H19N7/c1-12-14(21-11-20-12)15-17-7-9-23(15)13-4-2-8-22(10-13)16-18-5-3-6-19-16/h3,5-7,9,11,13H,2,4,8,10H2,1H3,(H,20,21)
InChIKeyNZWZUOHCWSAWCM-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.21
Rot. Bonds3

About 2-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]pyrimidine

2-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]pyrimidine (PubChem CID 70753087) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is 2-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]pyrimidine
PubChem CID70753087
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name2-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]pyrimidine
SMILESCc1[nH]cnc1-c1nccn1C1CCCN(c2ncccn2)C1
InChIInChI=1S/C16H19N7/c1-12-14(21-11-20-12)15-17-7-9-23(15)13-4-2-8-22(10-13)16-18-5-3-6-19-16/h3,5-7,9,11,13H,2,4,8,10H2,1H3,(H,20,21)
InChIKeyNZWZUOHCWSAWCM-UHFFFAOYSA-N
XLogP2.21
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

furan-2-yl-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]methanone
CID 70752790
2-[3-[2-(7-methoxy-1,3-benzodioxol-5-yl)imidazol-1-yl]piperidin-1-yl]pyrimidine
CID 70787827
2-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
CID 110254279
2-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]pyrimidine
CID 110254065
4-chloro-1-methyl-3-[1-(1-methylpiperidin-3-yl)imidazol-2-yl]indazole
CID 70774818
1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride
CID 45075103
2-[4-[2-(2-methoxy-4-pyridinyl)imidazol-1-yl]piperidin-1-yl]pyrimidine
CID 154566004
1-(1-pyrimidin-2-ylpiperidin-3-yl)ethanol
CID 133397978
3-[2-(3-methoxyphenyl)imidazol-1-yl]-1-methylpiperidine
CID 154817064
2-methyl-1-[3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one
CID 70715847
N-cyclohexyl-1-pyrimidin-2-ylpiperidin-3-amine
CID 43728828
2-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
CID 110269018

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]pyrimidine?
The IUPAC name of 2-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]pyrimidine (CID 70753087) is 2-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]pyrimidine is Cc1[nH]cnc1-c1nccn1C1CCCN(c2ncccn2)C1.
What is the InChIKey of 2-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]pyrimidine?
The InChIKey is NZWZUOHCWSAWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7/c1-12-14(21-11-20-12)15-17-7-9-23(15)13-4-2-8-22(10-13)16-18-5-3-6-19-16/h3,5-7,9,11,13H,2,4,8,10H2,1H3,(H,20,21).
What are the key properties of 2-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]pyrimidine?
2-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]pyrimidine has a molecular weight of 309.38 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 70753087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).