3-[[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine

C19H24N6 — CID 125024022

IUPAC3-[[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine
SMILESCn1c(CN2CCC[C@@H](Cc3nccnc3N)C2)nc2ccccc21
InChIInChI=1S/C19H24N6/c1-24-17-7-3-2-6-15(17)23-18(24)13-25-10-4-5-14(12-25)11-16-19(20)22-9-8-21-16/h2-3,6-9,14H,4-5,10-13H2,1H3,(H2,20,22)/t14-/m0/s1
InChIKeyZCNTUUUXXLDJLP-AWEZNQCLSA-N
MW336.44 g/mol
LogP2.40
Rot. Bonds4

About 3-[[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine

3-[[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine (PubChem CID 125024022) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine
PubChem CID125024022
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name3-[[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine
SMILESCn1c(CN2CCC[C@@H](Cc3nccnc3N)C2)nc2ccccc21
InChIInChI=1S/C19H24N6/c1-24-17-7-3-2-6-15(17)23-18(24)13-25-10-4-5-14(12-25)11-16-19(20)22-9-8-21-16/h2-3,6-9,14H,4-5,10-13H2,1H3,(H2,20,22)/t14-/m0/s1
InChIKeyZCNTUUUXXLDJLP-AWEZNQCLSA-N
XLogP2.40
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine with MolForge

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Related Compounds

2-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-1-methylbenzimidazole
CID 93242524
1-methyl-2-[[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]benzimidazole
CID 124992897
3-[(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyrazin-2-amine
CID 124959757
3-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyrazin-2-amine
CID 124959756
3-[[1-(quinolin-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
CID 110113146
N-[[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
CID 45198431
[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 124813623
3-[[1-(pyrimidin-5-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
CID 110113118
[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70750788
3-[[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]pyrazin-2-amine
CID 125025118
(3R)-N-cyclohexyl-1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124803554
3-[[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine
CID 110113122

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine?
The IUPAC name of 3-[[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine (CID 125024022) is 3-[[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for 3-[[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine?
The canonical SMILES for 3-[[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine is Cn1c(CN2CCC[C@@H](Cc3nccnc3N)C2)nc2ccccc21.
What is the InChIKey of 3-[[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine?
The InChIKey is ZCNTUUUXXLDJLP-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N6/c1-24-17-7-3-2-6-15(17)23-18(24)13-25-10-4-5-14(12-25)11-16-19(20)22-9-8-21-16/h2-3,6-9,14H,4-5,10-13H2,1H3,(H2,20,22)/t14-/m0/s1.
What are the key properties of 3-[[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine?
3-[[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine has a molecular weight of 336.44 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 125024022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).