N,N-dimethyl-3-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrazin-2-amine

C19H24N6 — CID 97434489

IUPACN,N-dimethyl-3-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrazin-2-amine
SMILESCc1cccc2[nH]c([C@H]3CCCN(c4nccnc4N(C)C)C3)nc12
InChIInChI=1S/C19H24N6/c1-13-6-4-8-15-16(13)23-17(22-15)14-7-5-11-25(12-14)19-18(24(2)3)20-9-10-21-19/h4,6,8-10,14H,5,7,11-12H2,1-3H3,(H,22,23)/t14-/m0/s1
InChIKeyKPFYUPCZMLFBEU-AWEZNQCLSA-N
MW336.44 g/mol
LogP3.11
Rot. Bonds3

About N,N-dimethyl-3-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrazin-2-amine

N,N-dimethyl-3-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrazin-2-amine (PubChem CID 97434489) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is N,N-dimethyl-3-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrazin-2-amine
PubChem CID97434489
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC NameN,N-dimethyl-3-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrazin-2-amine
SMILESCc1cccc2[nH]c([C@H]3CCCN(c4nccnc4N(C)C)C3)nc12
InChIInChI=1S/C19H24N6/c1-13-6-4-8-15-16(13)23-17(22-15)14-7-5-11-25(12-14)19-18(24(2)3)20-9-10-21-19/h4,6,8-10,14H,5,7,11-12H2,1-3H3,(H,22,23)/t14-/m0/s1
InChIKeyKPFYUPCZMLFBEU-AWEZNQCLSA-N
XLogP3.11
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrazin-2-amine
CID 72845571
6-methyl-2-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 97434433
N,N-dimethyl-5-[[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyrimidin-2-amine
CID 95714904
[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 97141987
[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 96582134
5-[[2-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 75992072
[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone
CID 96576304
tert-butyl (3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 66787018
2-(methylamino)-1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
CID 56875048
2-[[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 95208006
[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 97149967
[5-[[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]furan-2-yl]methanol
CID 95217260

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrazin-2-amine?
The IUPAC name of N,N-dimethyl-3-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrazin-2-amine (CID 97434489) is N,N-dimethyl-3-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrazin-2-amine.
What is the SMILES notation for N,N-dimethyl-3-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrazin-2-amine?
The canonical SMILES for N,N-dimethyl-3-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrazin-2-amine is Cc1cccc2[nH]c([C@H]3CCCN(c4nccnc4N(C)C)C3)nc12.
What is the InChIKey of N,N-dimethyl-3-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrazin-2-amine?
The InChIKey is KPFYUPCZMLFBEU-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N6/c1-13-6-4-8-15-16(13)23-17(22-15)14-7-5-11-25(12-14)19-18(24(2)3)20-9-10-21-19/h4,6,8-10,14H,5,7,11-12H2,1-3H3,(H,22,23)/t14-/m0/s1.
What are the key properties of N,N-dimethyl-3-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrazin-2-amine?
N,N-dimethyl-3-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrazin-2-amine has a molecular weight of 336.44 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrazin-2-amine is sourced from PubChem (CID 97434489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).