N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine

C16H18N4 — CID 62998610

IUPACN-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine
SMILESCC(NCc1nc2ccccc2n1C)c1ccccn1
InChIInChI=1S/C16H18N4/c1-12(13-7-5-6-10-17-13)18-11-16-19-14-8-3-4-9-15(14)20(16)2/h3-10,12,18H,11H2,1-2H3
InChIKeyBFLBCILCYFSEGZ-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.82
Rot. Bonds4

About N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine

N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine (PubChem CID 62998610) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine
PubChem CID62998610
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine
SMILESCC(NCc1nc2ccccc2n1C)c1ccccn1
InChIInChI=1S/C16H18N4/c1-12(13-7-5-6-10-17-13)18-11-16-19-14-8-3-4-9-15(14)20(16)2/h3-10,12,18H,11H2,1-2H3
InChIKeyBFLBCILCYFSEGZ-UHFFFAOYSA-N
XLogP2.82
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(4-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine
CID 78921225
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
1-N,1-N-dimethyl-3-N-[(1-methylbenzimidazol-2-yl)methyl]butane-1,3-diamine
CID 63000965
N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanylbutan-2-amine
CID 115640025
methyl (2S)-2-[(1-methylbenzimidazol-2-yl)methylamino]propanoate
CID 55242093
4-methyl-2-[(1-methylbenzimidazol-2-yl)methylamino]pentan-1-ol
CID 63001916
(1R)-N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401652
(3R)-3-[(1-methylbenzimidazol-2-yl)methylamino]-3-phenylpropan-1-ol
CID 111449974
N-[(1-methylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 63001491
2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine
CID 79753296
N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 78911712
2-[(1-methylbenzimidazol-2-yl)methylamino]-N-propylpropanamide
CID 60677060

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine (CID 62998610) is N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine is CC(NCc1nc2ccccc2n1C)c1ccccn1.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine?
The InChIKey is BFLBCILCYFSEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-12(13-7-5-6-10-17-13)18-11-16-19-14-8-3-4-9-15(14)20(16)2/h3-10,12,18H,11H2,1-2H3.
What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine?
N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine has a molecular weight of 266.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 62998610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).