N,N-dimethyl-4-(1-phenylbenzimidazol-5-yl)oxybutan-1-amine;dihydrochloride

C19H25Cl2N3O — CID 22004137

IUPACN,N-dimethyl-4-(1-phenylbenzimidazol-5-yl)oxybutan-1-amine;dihydrochloride
SMILESCN(C)CCCCOc1ccc2c(c1)ncn2-c1ccccc1.Cl.Cl
InChIInChI=1S/C19H23N3O.2ClH/c1-21(2)12-6-7-13-23-17-10-11-19-18(14-17)20-15-22(19)16-8-4-3-5-9-16;;/h3-5,8-11,14-15H,6-7,12-13H2,1-2H3;2*1H
InChIKeyUBQQXYIKBHOVIT-UHFFFAOYSA-N
MW382.34 g/mol
LogP4.59
Rot. Bonds7

About N,N-dimethyl-4-(1-phenylbenzimidazol-5-yl)oxybutan-1-amine;dihydrochloride

N,N-dimethyl-4-(1-phenylbenzimidazol-5-yl)oxybutan-1-amine;dihydrochloride (PubChem CID 22004137) has the molecular formula C19H25Cl2N3O and a molecular weight of 382.34 g/mol. Its IUPAC name is N,N-dimethyl-4-(1-phenylbenzimidazol-5-yl)oxybutan-1-amine;dihydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-4-(1-phenylbenzimidazol-5-yl)oxybutan-1-amine;dihydrochloride
PubChem CID22004137
Molecular FormulaC19H25Cl2N3O
Molecular Weight382.34 g/mol
Exact Mass381.14
IUPAC NameN,N-dimethyl-4-(1-phenylbenzimidazol-5-yl)oxybutan-1-amine;dihydrochloride
SMILESCN(C)CCCCOc1ccc2c(c1)ncn2-c1ccccc1.Cl.Cl
InChIInChI=1S/C19H23N3O.2ClH/c1-21(2)12-6-7-13-23-17-10-11-19-18(14-17)20-15-22(19)16-8-4-3-5-9-16;;/h3-5,8-11,14-15H,6-7,12-13H2,1-2H3;2*1H
InChIKeyUBQQXYIKBHOVIT-UHFFFAOYSA-N
XLogP4.59
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-hexoxybenzimidazol-1-yl)aniline
CID 130424399
4-[5-(2-methoxyethoxy)benzimidazol-1-yl]aniline
CID 130424385
N,N-dimethyl-4-naphthalen-2-yloxybutan-1-amine
CID 59083731
4-[2-[5-[3-(dimethylamino)propoxy]benzimidazol-1-yl]quinolin-8-yl]phenol
CID 22226916
phenyl N-[4-[5-(2-methoxyethoxy)benzimidazol-1-yl]phenyl]carbamate
CID 130424447
4-[5-[3-(4-methylpiperazin-1-yl)propoxy]benzimidazol-1-yl]aniline
CID 130424581
N,N-dimethyl-8-(4-phenylphenoxy)octan-1-amine
CID 21281384
6-methoxy-1-phenylbenzimidazole
CID 652633
phenyl N-[4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamate
CID 174930301
1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid
CID 4525945
[4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamic acid
CID 137375457
ethyl 1-phenylbenzimidazole-5-carboxylate
CID 175878732

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(1-phenylbenzimidazol-5-yl)oxybutan-1-amine;dihydrochloride?
The IUPAC name of N,N-dimethyl-4-(1-phenylbenzimidazol-5-yl)oxybutan-1-amine;dihydrochloride (CID 22004137) is N,N-dimethyl-4-(1-phenylbenzimidazol-5-yl)oxybutan-1-amine;dihydrochloride.
What is the SMILES notation for N,N-dimethyl-4-(1-phenylbenzimidazol-5-yl)oxybutan-1-amine;dihydrochloride?
The canonical SMILES for N,N-dimethyl-4-(1-phenylbenzimidazol-5-yl)oxybutan-1-amine;dihydrochloride is CN(C)CCCCOc1ccc2c(c1)ncn2-c1ccccc1.Cl.Cl.
What is the InChIKey of N,N-dimethyl-4-(1-phenylbenzimidazol-5-yl)oxybutan-1-amine;dihydrochloride?
The InChIKey is UBQQXYIKBHOVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O.2ClH/c1-21(2)12-6-7-13-23-17-10-11-19-18(14-17)20-15-22(19)16-8-4-3-5-9-16;;/h3-5,8-11,14-15H,6-7,12-13H2,1-2H3;2*1H.
What are the key properties of N,N-dimethyl-4-(1-phenylbenzimidazol-5-yl)oxybutan-1-amine;dihydrochloride?
N,N-dimethyl-4-(1-phenylbenzimidazol-5-yl)oxybutan-1-amine;dihydrochloride has a molecular weight of 382.34 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(1-phenylbenzimidazol-5-yl)oxybutan-1-amine;dihydrochloride is sourced from PubChem (CID 22004137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).