1-(6-methoxy-3-pyridinyl)-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine

C18H22N4O — CID 119137495

IUPAC1-(6-methoxy-3-pyridinyl)-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine
SMILESCCCn1c(CNCc2ccc(OC)nc2)nc2ccccc21
InChIInChI=1S/C18H22N4O/c1-3-10-22-16-7-5-4-6-15(16)21-17(22)13-19-11-14-8-9-18(23-2)20-12-14/h4-9,12,19H,3,10-11,13H2,1-2H3
InChIKeyOXHFIAKEWGEFSM-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.14
Rot. Bonds7

About 1-(6-methoxy-3-pyridinyl)-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine

1-(6-methoxy-3-pyridinyl)-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine (PubChem CID 119137495) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine
PubChem CID119137495
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-(6-methoxy-3-pyridinyl)-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine
SMILESCCCn1c(CNCc2ccc(OC)nc2)nc2ccccc21
InChIInChI=1S/C18H22N4O/c1-3-10-22-16-7-5-4-6-15(16)21-17(22)13-19-11-14-8-9-18(23-2)20-12-14/h4-9,12,19H,3,10-11,13H2,1-2H3
InChIKeyOXHFIAKEWGEFSM-UHFFFAOYSA-N
XLogP3.14
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol
CID 54905664
N-[(1-propylbenzimidazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine
CID 61019366
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine
CID 56816229
3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]butan-1-amine
CID 54906185
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
CID 61019367
1-(1-propylbenzimidazol-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 119137523
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
2-(1,2,4-oxadiazol-3-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine
CID 106396239
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
N-[(1-methylcyclobutyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
CID 103735922
1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951
1-(6-methoxy-3-pyridinyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 114936363

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine (CID 119137495) is 1-(6-methoxy-3-pyridinyl)-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine is CCCn1c(CNCc2ccc(OC)nc2)nc2ccccc21.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine?
The InChIKey is OXHFIAKEWGEFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-3-10-22-16-7-5-4-6-15(16)21-17(22)13-19-11-14-8-9-18(23-2)20-12-14/h4-9,12,19H,3,10-11,13H2,1-2H3.
What are the key properties of 1-(6-methoxy-3-pyridinyl)-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine?
1-(6-methoxy-3-pyridinyl)-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine has a molecular weight of 310.40 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 119137495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).