N,N-dimethyl-4-[2-[(1R)-3-methyl-1-(methylamino)butyl]-3H-benzimidazol-5-yl]pyridin-2-amine;ethane

C22H33N5 — CID 158703210

IUPACN,N-dimethyl-4-[2-[(1R)-3-methyl-1-(methylamino)butyl]-3H-benzimidazol-5-yl]pyridin-2-amine;ethane
SMILESCC.CN[C@H](CC(C)C)c1nc2ccc(-c3ccnc(N(C)C)c3)cc2[nH]1
InChIInChI=1S/C20H27N5.C2H6/c1-13(2)10-18(21-3)20-23-16-7-6-14(11-17(16)24-20)15-8-9-22-19(12-15)25(4)5;1-2/h6-9,11-13,18,21H,10H2,1-5H3,(H,23,24);1-2H3/t18-;/m1./s1
InChIKeyIHUOHQZZBREFER-GMUIIQOCSA-N
MW367.54 g/mol
LogP5.02
Rot. Bonds6

About N,N-dimethyl-4-[2-[(1R)-3-methyl-1-(methylamino)butyl]-3H-benzimidazol-5-yl]pyridin-2-amine;ethane

N,N-dimethyl-4-[2-[(1R)-3-methyl-1-(methylamino)butyl]-3H-benzimidazol-5-yl]pyridin-2-amine;ethane (PubChem CID 158703210) has the molecular formula C22H33N5 and a molecular weight of 367.54 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-[(1R)-3-methyl-1-(methylamino)butyl]-3H-benzimidazol-5-yl]pyridin-2-amine;ethane.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-[(1R)-3-methyl-1-(methylamino)butyl]-3H-benzimidazol-5-yl]pyridin-2-amine;ethane
PubChem CID158703210
Molecular FormulaC22H33N5
Molecular Weight367.54 g/mol
Exact Mass367.27
IUPAC NameN,N-dimethyl-4-[2-[(1R)-3-methyl-1-(methylamino)butyl]-3H-benzimidazol-5-yl]pyridin-2-amine;ethane
SMILESCC.CN[C@H](CC(C)C)c1nc2ccc(-c3ccnc(N(C)C)c3)cc2[nH]1
InChIInChI=1S/C20H27N5.C2H6/c1-13(2)10-18(21-3)20-23-16-7-6-14(11-17(16)24-20)15-8-9-22-19(12-15)25(4)5;1-2/h6-9,11-13,18,21H,10H2,1-5H3,(H,23,24);1-2H3/t18-;/m1./s1
InChIKeyIHUOHQZZBREFER-GMUIIQOCSA-N
XLogP5.02
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.54
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-4-[2-[(1R)-3-methyl-1-(methylamino)butyl]-3H-benzimidazol-5-yl]pyridin-2-amine;ethane with MolForge

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Related Compounds

(1R)-N,3-dimethyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)butan-1-amine
CID 118864343
(1R)-N,3-dimethyl-1-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]butan-1-amine
CID 118880591
N-methyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)heptan-1-amine
CID 145014227
4-methyl-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)pentan-1-amine
CID 118864462
(1R)-3-methyl-1-[6-(1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]butan-1-amine
CID 130405228
6-phenyl-2-propan-2-yl-1H-benzimidazole
CID 58158979
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]pyridine-2-carboxamide
CID 41036697
4-(4-chlorophenyl)-N,N-dimethylpyridin-2-amine
CID 178109992
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 112798367
3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 43379497
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 133434405
N-methyl-1-(2-propan-2-yl-3H-benzimidazol-5-yl)methanamine
CID 82491783

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-[(1R)-3-methyl-1-(methylamino)butyl]-3H-benzimidazol-5-yl]pyridin-2-amine;ethane?
The IUPAC name of N,N-dimethyl-4-[2-[(1R)-3-methyl-1-(methylamino)butyl]-3H-benzimidazol-5-yl]pyridin-2-amine;ethane (CID 158703210) is N,N-dimethyl-4-[2-[(1R)-3-methyl-1-(methylamino)butyl]-3H-benzimidazol-5-yl]pyridin-2-amine;ethane.
What is the SMILES notation for N,N-dimethyl-4-[2-[(1R)-3-methyl-1-(methylamino)butyl]-3H-benzimidazol-5-yl]pyridin-2-amine;ethane?
The canonical SMILES for N,N-dimethyl-4-[2-[(1R)-3-methyl-1-(methylamino)butyl]-3H-benzimidazol-5-yl]pyridin-2-amine;ethane is CC.CN[C@H](CC(C)C)c1nc2ccc(-c3ccnc(N(C)C)c3)cc2[nH]1.
What is the InChIKey of N,N-dimethyl-4-[2-[(1R)-3-methyl-1-(methylamino)butyl]-3H-benzimidazol-5-yl]pyridin-2-amine;ethane?
The InChIKey is IHUOHQZZBREFER-GMUIIQOCSA-N. The full InChI is InChI=1S/C20H27N5.C2H6/c1-13(2)10-18(21-3)20-23-16-7-6-14(11-17(16)24-20)15-8-9-22-19(12-15)25(4)5;1-2/h6-9,11-13,18,21H,10H2,1-5H3,(H,23,24);1-2H3/t18-;/m1./s1.
What are the key properties of N,N-dimethyl-4-[2-[(1R)-3-methyl-1-(methylamino)butyl]-3H-benzimidazol-5-yl]pyridin-2-amine;ethane?
N,N-dimethyl-4-[2-[(1R)-3-methyl-1-(methylamino)butyl]-3H-benzimidazol-5-yl]pyridin-2-amine;ethane has a molecular weight of 367.54 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-[(1R)-3-methyl-1-(methylamino)butyl]-3H-benzimidazol-5-yl]pyridin-2-amine;ethane is sourced from PubChem (CID 158703210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).