5-[oxolan-3-yl(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one

C15H21N3O2 — CID 61276462

IUPAC5-[oxolan-3-yl(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCCCNC(c1ccc2[nH]c(=O)[nH]c2c1)C1CCOC1
InChIInChI=1S/C15H21N3O2/c1-2-6-16-14(11-5-7-20-9-11)10-3-4-12-13(8-10)18-15(19)17-12/h3-4,8,11,14,16H,2,5-7,9H2,1H3,(H2,17,18,19)
InChIKeyVJUUBCKJUCHZPL-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.93
Rot. Bonds5

About 5-[oxolan-3-yl(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one

5-[oxolan-3-yl(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 61276462) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-[oxolan-3-yl(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[oxolan-3-yl(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID61276462
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name5-[oxolan-3-yl(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCCCNC(c1ccc2[nH]c(=O)[nH]c2c1)C1CCOC1
InChIInChI=1S/C15H21N3O2/c1-2-6-16-14(11-5-7-20-9-11)10-3-4-12-13(8-10)18-15(19)17-12/h3-4,8,11,14,16H,2,5-7,9H2,1H3,(H2,17,18,19)
InChIKeyVJUUBCKJUCHZPL-UHFFFAOYSA-N
XLogP1.93
TPSA69.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[cyclopropyl(ethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43490672
N-[(3-methoxy-4-methylphenyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 115856489
N-[(3-cyclobutylphenyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 114603372
N-[naphthalen-2-yl(oxan-3-yl)methyl]propan-1-amine
CID 65332373
N-[oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 115856447
N-[oxolan-3-yl(pyridin-3-yl)methyl]propan-1-amine
CID 63565500
N-[(1-ethylpyrazol-4-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 65330533
N-[(3-bromo-4-methylphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115856010
N-[oxan-3-yl(quinoxalin-6-yl)methyl]propan-1-amine
CID 107136382
N-[(4-chloro-3-fluorophenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107996097
5-[1-(propylamino)pentyl]-1,3-dihydrobenzimidazol-2-one
CID 43496018
5-[2,2-dimethyl-1-(propylamino)butyl]-1,3-dihydrobenzimidazol-2-one
CID 62679554

Frequently Asked Questions

What is the IUPAC name of 5-[oxolan-3-yl(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[oxolan-3-yl(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one (CID 61276462) is 5-[oxolan-3-yl(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[oxolan-3-yl(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[oxolan-3-yl(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one is CCCNC(c1ccc2[nH]c(=O)[nH]c2c1)C1CCOC1.
What is the InChIKey of 5-[oxolan-3-yl(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is VJUUBCKJUCHZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-6-16-14(11-5-7-20-9-11)10-3-4-12-13(8-10)18-15(19)17-12/h3-4,8,11,14,16H,2,5-7,9H2,1H3,(H2,17,18,19).
What are the key properties of 5-[oxolan-3-yl(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[oxolan-3-yl(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 275.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[oxolan-3-yl(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 61276462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).