1,2-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]benzimidazol-5-amine

C16H18N4 — CID 99851890

IUPAC1,2-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]benzimidazol-5-amine
SMILESCc1nc2cc(N[C@@H](C)c3ccccn3)ccc2n1C
InChIInChI=1S/C16H18N4/c1-11(14-6-4-5-9-17-14)18-13-7-8-16-15(10-13)19-12(2)20(16)3/h4-11,18H,1-3H3/t11-/m0/s1
InChIKeyVZBMFMRMSCYBEX-NSHDSACASA-N
MW266.35 g/mol
LogP3.45
Rot. Bonds3

About 1,2-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]benzimidazol-5-amine

1,2-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]benzimidazol-5-amine (PubChem CID 99851890) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1,2-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]benzimidazol-5-amine.

Molecular Properties

Compound Name1,2-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]benzimidazol-5-amine
PubChem CID99851890
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name1,2-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]benzimidazol-5-amine
SMILESCc1nc2cc(N[C@@H](C)c3ccccn3)ccc2n1C
InChIInChI=1S/C16H18N4/c1-11(14-6-4-5-9-17-14)18-13-7-8-16-15(10-13)19-12(2)20(16)3/h4-11,18H,1-3H3/t11-/m0/s1
InChIKeyVZBMFMRMSCYBEX-NSHDSACASA-N
XLogP3.45
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43195401
N-(chloromethyl)-1,2-dimethylbenzimidazol-5-amine
CID 115262747
3-bromo-N-(1-pyridin-2-ylethyl)aniline
CID 43194583
1,4-dimethyl-N-(1-pyridin-2-ylethyl)imidazol-2-amine
CID 106562229
2-methyl-5-(1-pyridin-2-ylethylamino)isoindole-1,3-dione
CID 43192235
4-chloro-N-(1-pyridin-2-ylethyl)aniline
CID 43194293
4-(1-pyridin-2-ylethylamino)phenol
CID 43742707
8,9-dimethyl-6-N-(1-pyridin-2-ylethyl)purine-2,6-diamine
CID 56730239
1-N-(1,2-dimethylbenzimidazol-5-yl)pentane-1,4-diamine
CID 115203627
3-bromo-4-fluoro-N-(1-pyridin-2-ylethyl)aniline
CID 113354964
3-chloro-4-fluoro-N-(1-pyridin-2-ylethyl)aniline
CID 43119234
2-fluoro-4-(1-pyridin-2-ylethylamino)benzonitrile
CID 113295538

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]benzimidazol-5-amine?
The IUPAC name of 1,2-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]benzimidazol-5-amine (CID 99851890) is 1,2-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]benzimidazol-5-amine.
What is the SMILES notation for 1,2-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]benzimidazol-5-amine?
The canonical SMILES for 1,2-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]benzimidazol-5-amine is Cc1nc2cc(N[C@@H](C)c3ccccn3)ccc2n1C.
What is the InChIKey of 1,2-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]benzimidazol-5-amine?
The InChIKey is VZBMFMRMSCYBEX-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N4/c1-11(14-6-4-5-9-17-14)18-13-7-8-16-15(10-13)19-12(2)20(16)3/h4-11,18H,1-3H3/t11-/m0/s1.
What are the key properties of 1,2-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]benzimidazol-5-amine?
1,2-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]benzimidazol-5-amine has a molecular weight of 266.35 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]benzimidazol-5-amine is sourced from PubChem (CID 99851890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).