[2-[4-(dipropylamino)butyl]-3-methylbenzimidazol-5-yl]methanol

C19H31N3O — CID 23155447

IUPAC[2-[4-(dipropylamino)butyl]-3-methylbenzimidazol-5-yl]methanol
SMILESCCCN(CCC)CCCCc1nc2ccc(CO)cc2n1C
InChIInChI=1S/C19H31N3O/c1-4-11-22(12-5-2)13-7-6-8-19-20-17-10-9-16(15-23)14-18(17)21(19)3/h9-10,14,23H,4-8,11-13,15H2,1-3H3
InChIKeyKWFVOIPZBHCGEV-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.51
Rot. Bonds10

About [2-[4-(dipropylamino)butyl]-3-methylbenzimidazol-5-yl]methanol

[2-[4-(dipropylamino)butyl]-3-methylbenzimidazol-5-yl]methanol (PubChem CID 23155447) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is [2-[4-(dipropylamino)butyl]-3-methylbenzimidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[4-(dipropylamino)butyl]-3-methylbenzimidazol-5-yl]methanol
PubChem CID23155447
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name[2-[4-(dipropylamino)butyl]-3-methylbenzimidazol-5-yl]methanol
SMILESCCCN(CCC)CCCCc1nc2ccc(CO)cc2n1C
InChIInChI=1S/C19H31N3O/c1-4-11-22(12-5-2)13-7-6-8-19-20-17-10-9-16(15-23)14-18(17)21(19)3/h9-10,14,23H,4-8,11-13,15H2,1-3H3
InChIKeyKWFVOIPZBHCGEV-UHFFFAOYSA-N
XLogP3.51
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(dipropylamino)butyl]-3-methylbenzimidazol-5-yl]methanol?
The IUPAC name of [2-[4-(dipropylamino)butyl]-3-methylbenzimidazol-5-yl]methanol (CID 23155447) is [2-[4-(dipropylamino)butyl]-3-methylbenzimidazol-5-yl]methanol.
What is the SMILES notation for [2-[4-(dipropylamino)butyl]-3-methylbenzimidazol-5-yl]methanol?
The canonical SMILES for [2-[4-(dipropylamino)butyl]-3-methylbenzimidazol-5-yl]methanol is CCCN(CCC)CCCCc1nc2ccc(CO)cc2n1C.
What is the InChIKey of [2-[4-(dipropylamino)butyl]-3-methylbenzimidazol-5-yl]methanol?
The InChIKey is KWFVOIPZBHCGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-4-11-22(12-5-2)13-7-6-8-19-20-17-10-9-16(15-23)14-18(17)21(19)3/h9-10,14,23H,4-8,11-13,15H2,1-3H3.
What are the key properties of [2-[4-(dipropylamino)butyl]-3-methylbenzimidazol-5-yl]methanol?
[2-[4-(dipropylamino)butyl]-3-methylbenzimidazol-5-yl]methanol has a molecular weight of 317.48 g/mol, XLogP of 3.51, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dipropylamino)butyl]-3-methylbenzimidazol-5-yl]methanol is sourced from PubChem (CID 23155447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).