2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-benzimidazole

C18H21N5 — CID 125423881

IUPAC2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-benzimidazole
SMILESCc1cc(N2CCC(Cc3nc4ccccc4[nH]3)CC2)ncn1
InChIInChI=1S/C18H21N5/c1-13-10-18(20-12-19-13)23-8-6-14(7-9-23)11-17-21-15-4-2-3-5-16(15)22-17/h2-5,10,12,14H,6-9,11H2,1H3,(H,21,22)
InChIKeyJWIPXWRHJZDZKJ-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.12
Rot. Bonds3

About 2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-benzimidazole

2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-benzimidazole (PubChem CID 125423881) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-benzimidazole
PubChem CID125423881
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-benzimidazole
SMILESCc1cc(N2CCC(Cc3nc4ccccc4[nH]3)CC2)ncn1
InChIInChI=1S/C18H21N5/c1-13-10-18(20-12-19-13)23-8-6-14(7-9-23)11-17-21-15-4-2-3-5-16(15)22-17/h2-5,10,12,14H,6-9,11H2,1H3,(H,21,22)
InChIKeyJWIPXWRHJZDZKJ-UHFFFAOYSA-N
XLogP3.12
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
CID 138031331
6-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]pyrimidin-4-amine
CID 72851412
2-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 72917014
2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 97453733
[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 61225123
4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carboxylic acid
CID 67434741
ethane;2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 162156839
2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 14012861
2-[1-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]ethyl]-5-methyl-1,3,4-thiadiazole
CID 138032901
6-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-N-(cyclopropylmethyl)pyrimidin-4-amine
CID 75433494
N-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine
CID 126889305
cis-(1R,2S)-2-[4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 167744160

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-benzimidazole?
The IUPAC name of 2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-benzimidazole (CID 125423881) is 2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-benzimidazole?
The canonical SMILES for 2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-benzimidazole is Cc1cc(N2CCC(Cc3nc4ccccc4[nH]3)CC2)ncn1.
What is the InChIKey of 2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-benzimidazole?
The InChIKey is JWIPXWRHJZDZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-13-10-18(20-12-19-13)23-8-6-14(7-9-23)11-17-21-15-4-2-3-5-16(15)22-17/h2-5,10,12,14H,6-9,11H2,1H3,(H,21,22).
What are the key properties of 2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-benzimidazole?
2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-benzimidazole has a molecular weight of 307.40 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-benzimidazole is sourced from PubChem (CID 125423881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).