N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine

C17H20N4 — CID 114878188

IUPACN-methyl-2-(1-methylbenzimidazol-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine
SMILESCNC(Cc1nc2ccccc2n1C)c1cnccc1C
InChIInChI=1S/C17H20N4/c1-12-8-9-19-11-13(12)15(18-2)10-17-20-14-6-4-5-7-16(14)21(17)3/h4-9,11,15,18H,10H2,1-3H3
InChIKeyDGCNLKKYRKBMRW-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.78
Rot. Bonds4

About N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine

N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine (PubChem CID 114878188) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-methylbenzimidazol-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine
PubChem CID114878188
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN-methyl-2-(1-methylbenzimidazol-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine
SMILESCNC(Cc1nc2ccccc2n1C)c1cnccc1C
InChIInChI=1S/C17H20N4/c1-12-8-9-19-11-13(12)15(18-2)10-17-20-14-6-4-5-7-16(14)21(17)3/h4-9,11,15,18H,10H2,1-3H3
InChIKeyDGCNLKKYRKBMRW-UHFFFAOYSA-N
XLogP2.78
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-4-ylethanamine
CID 79750104
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 79750179
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanamine
CID 82896332
1-(2-bromofuran-3-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 106858090
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530552
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(thiadiazol-5-yl)ethanamine
CID 105164915
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105164834
1-(furan-3-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79750479
1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 105065815
1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 105066358
N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79754110
1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 105007530

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine?
The IUPAC name of N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine (CID 114878188) is N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine is CNC(Cc1nc2ccccc2n1C)c1cnccc1C.
What is the InChIKey of N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine?
The InChIKey is DGCNLKKYRKBMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-12-8-9-19-11-13(12)15(18-2)10-17-20-14-6-4-5-7-16(14)21(17)3/h4-9,11,15,18H,10H2,1-3H3.
What are the key properties of N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine?
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine has a molecular weight of 280.38 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 114878188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).