N-ethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine

C20H22N6 — CID 166628243

IUPACN-ethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine
SMILESCCNc1ccc(-c2nc3ccccc3n2Cc2ccn(CC)n2)cn1
InChIInChI=1S/C20H22N6/c1-3-21-19-10-9-15(13-22-19)20-23-17-7-5-6-8-18(17)26(20)14-16-11-12-25(4-2)24-16/h5-13H,3-4,14H2,1-2H3,(H,21,22)
InChIKeyRBFMCEMIWPOGDR-UHFFFAOYSA-N
MW346.44 g/mol
LogP3.79
Rot. Bonds6

About N-ethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine

N-ethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine (PubChem CID 166628243) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-ethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine
PubChem CID166628243
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC NameN-ethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine
SMILESCCNc1ccc(-c2nc3ccccc3n2Cc2ccn(CC)n2)cn1
InChIInChI=1S/C20H22N6/c1-3-21-19-10-9-15(13-22-19)20-23-17-7-5-6-8-18(17)26(20)14-16-11-12-25(4-2)24-16/h5-13H,3-4,14H2,1-2H3,(H,21,22)
InChIKeyRBFMCEMIWPOGDR-UHFFFAOYSA-N
XLogP3.79
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[(1-ethylpyrazol-3-yl)methyl]-2-[6-[(2S)-2-methylpyrrolidin-1-yl]-3-pyridinyl]benzimidazole-5-carboxylate
CID 150578985
1-[1-[(1-ethylpyrazol-3-yl)methyl]-2-[6-[(2S)-2-methylpyrrolidin-1-yl]-3-pyridinyl]benzimidazol-5-yl]-N-methylethenamine
CID 138465937
5-[1-(2-fluoroethyl)benzimidazol-2-yl]-N,N-dimethylpyridin-2-amine
CID 58362572
5-(1H-benzimidazol-2-yl)-N-ethylpyridin-2-amine
CID 7996119
1-[(2-chlorophenyl)methyl]-2-(6-chloro-3-pyridinyl)benzimidazole
CID 1488400
1-[(2-methylphenyl)methyl]-2-phenylbenzimidazole
CID 1320430
4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]aniline
CID 92629106
4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]benzonitrile
CID 134083964
5-(1-chlorobenzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]pyridin-2-amine
CID 68658202
2-[6-(diethylamino)-3-pyridinyl]-N-methyl-3-[(1-methylpyrazol-3-yl)methyl]benzimidazol-4-amine
CID 166629717
2-[[2-(4-tert-butylphenyl)benzimidazol-1-yl]methyl]benzonitrile
CID 84571433
2-[3,5-bis(1-decylbenzimidazol-2-yl)phenyl]-1-decylbenzimidazole
CID 102531556

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine?
The IUPAC name of N-ethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine (CID 166628243) is N-ethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine?
The canonical SMILES for N-ethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine is CCNc1ccc(-c2nc3ccccc3n2Cc2ccn(CC)n2)cn1.
What is the InChIKey of N-ethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine?
The InChIKey is RBFMCEMIWPOGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6/c1-3-21-19-10-9-15(13-22-19)20-23-17-7-5-6-8-18(17)26(20)14-16-11-12-25(4-2)24-16/h5-13H,3-4,14H2,1-2H3,(H,21,22).
What are the key properties of N-ethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine?
N-ethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine has a molecular weight of 346.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine is sourced from PubChem (CID 166628243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).