N-(1H-benzimidazol-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine

C22H22N4O — CID 46983929

IUPACN-(1H-benzimidazol-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
SMILESCOc1ccccc1CN(Cc1cccnc1)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C22H22N4O/c1-27-21-11-5-2-8-18(21)15-26(14-17-7-6-12-23-13-17)16-22-24-19-9-3-4-10-20(19)25-22/h2-13H,14-16H2,1H3,(H,24,25)
InChIKeyFXQCTBZTVXIOJN-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.17
Rot. Bonds7

About N-(1H-benzimidazol-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine

N-(1H-benzimidazol-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine (PubChem CID 46983929) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
PubChem CID46983929
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
SMILESCOc1ccccc1CN(Cc1cccnc1)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C22H22N4O/c1-27-21-11-5-2-8-18(21)15-26(14-17-7-6-12-23-13-17)16-22-24-19-9-3-4-10-20(19)25-22/h2-13H,14-16H2,1H3,(H,24,25)
InChIKeyFXQCTBZTVXIOJN-UHFFFAOYSA-N
XLogP4.17
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine
CID 46993097
N-[(2-methoxyphenyl)methyl]-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1-pyridin-3-ylmethanamine
CID 46986491
N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 129340589
N,N-bis(1H-benzimidazol-2-ylmethyl)-1-phenylmethanamine;dichloromanganese
CID 21107923
N,N-bis(1H-benzimidazol-2-ylmethyl)-1-phenylmethanamine;trichlorochromium(1+)
CID 91865506
N-methyl-N-(pyridin-3-ylmethyl)-1H-benzimidazol-2-amine
CID 115143872
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 51493246
1-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 46970356
N-[(2-methoxyphenyl)methyl]-1-pyridin-3-yl-N-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]methanamine
CID 46999818
N-[(2-methoxyphenyl)methyl]-N-[[(3R)-3-phenyloxolan-3-yl]methyl]-1-pyridin-3-ylmethanamine
CID 95046279
2-[(2,6-dimethoxyphenyl)methyl]-1H-benzimidazole
CID 139695649
2-[[ethyl-[(2-methoxyphenyl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135739497

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine (CID 46983929) is N-(1H-benzimidazol-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine is COc1ccccc1CN(Cc1cccnc1)Cc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is FXQCTBZTVXIOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-27-21-11-5-2-8-18(21)15-26(14-17-7-6-12-23-13-17)16-22-24-19-9-3-4-10-20(19)25-22/h2-13H,14-16H2,1H3,(H,24,25).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine?
N-(1H-benzimidazol-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 358.45 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 46983929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).