2-methyl-2-morpholin-4-yl-N-[(1-propylbenzimidazol-2-yl)methyl]propan-1-amine

C19H30N4O — CID 119137471

IUPAC2-methyl-2-morpholin-4-yl-N-[(1-propylbenzimidazol-2-yl)methyl]propan-1-amine
SMILESCCCn1c(CNCC(C)(C)N2CCOCC2)nc2ccccc21
InChIInChI=1S/C19H30N4O/c1-4-9-23-17-8-6-5-7-16(17)21-18(23)14-20-15-19(2,3)22-10-12-24-13-11-22/h5-8,20H,4,9-15H2,1-3H3
InChIKeyHLCUTYQDKQFOIJ-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.65
Rot. Bonds7

About 2-methyl-2-morpholin-4-yl-N-[(1-propylbenzimidazol-2-yl)methyl]propan-1-amine

2-methyl-2-morpholin-4-yl-N-[(1-propylbenzimidazol-2-yl)methyl]propan-1-amine (PubChem CID 119137471) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 2-methyl-2-morpholin-4-yl-N-[(1-propylbenzimidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-morpholin-4-yl-N-[(1-propylbenzimidazol-2-yl)methyl]propan-1-amine
PubChem CID119137471
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name2-methyl-2-morpholin-4-yl-N-[(1-propylbenzimidazol-2-yl)methyl]propan-1-amine
SMILESCCCn1c(CNCC(C)(C)N2CCOCC2)nc2ccccc21
InChIInChI=1S/C19H30N4O/c1-4-9-23-17-8-6-5-7-16(17)21-18(23)14-20-15-19(2,3)22-10-12-24-13-11-22/h5-8,20H,4,9-15H2,1-3H3
InChIKeyHLCUTYQDKQFOIJ-UHFFFAOYSA-N
XLogP2.65
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.65
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-methylcyclobutyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
CID 103735922
2-(oxolan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine
CID 61034574
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
N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
CID 107267629
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
1-cyclopropyl-2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol
CID 63299001
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 37053168
4-iodo-N-[(1-propylbenzimidazol-2-yl)methyl]aniline
CID 63422265
3-(4-benzylpiperazin-1-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]propan-1-amine
CID 112844244
N-[(1-propylbenzimidazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine
CID 61019366

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-morpholin-4-yl-N-[(1-propylbenzimidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-2-morpholin-4-yl-N-[(1-propylbenzimidazol-2-yl)methyl]propan-1-amine (CID 119137471) is 2-methyl-2-morpholin-4-yl-N-[(1-propylbenzimidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-2-morpholin-4-yl-N-[(1-propylbenzimidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-2-morpholin-4-yl-N-[(1-propylbenzimidazol-2-yl)methyl]propan-1-amine is CCCn1c(CNCC(C)(C)N2CCOCC2)nc2ccccc21.
What is the InChIKey of 2-methyl-2-morpholin-4-yl-N-[(1-propylbenzimidazol-2-yl)methyl]propan-1-amine?
The InChIKey is HLCUTYQDKQFOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-4-9-23-17-8-6-5-7-16(17)21-18(23)14-20-15-19(2,3)22-10-12-24-13-11-22/h5-8,20H,4,9-15H2,1-3H3.
What are the key properties of 2-methyl-2-morpholin-4-yl-N-[(1-propylbenzimidazol-2-yl)methyl]propan-1-amine?
2-methyl-2-morpholin-4-yl-N-[(1-propylbenzimidazol-2-yl)methyl]propan-1-amine has a molecular weight of 330.48 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-morpholin-4-yl-N-[(1-propylbenzimidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 119137471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).