N-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-amine

C22H30N5O+ — CID 7342816

IUPACN-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-amine
SMILESCN(C)c1ccc(CNc2nc3ccccc3n2CC[NH+]2CCOCC2)cc1
InChIInChI=1S/C22H29N5O/c1-25(2)19-9-7-18(8-10-19)17-23-22-24-20-5-3-4-6-21(20)27(22)12-11-26-13-15-28-16-14-26/h3-10H,11-17H2,1-2H3,(H,23,24)/p+1
InChIKeyJWXOPZMSWSIVNG-UHFFFAOYSA-O
MW380.52 g/mol
LogP1.63
Rot. Bonds7

About N-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-amine

N-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-amine (PubChem CID 7342816) has the molecular formula C22H30N5O+ and a molecular weight of 380.52 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-amine
PubChem CID7342816
Molecular FormulaC22H30N5O+
Molecular Weight380.52 g/mol
Exact Mass380.24
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-amine
SMILESCN(C)c1ccc(CNc2nc3ccccc3n2CC[NH+]2CCOCC2)cc1
InChIInChI=1S/C22H29N5O/c1-25(2)19-9-7-18(8-10-19)17-23-22-24-20-5-3-4-6-21(20)27(22)12-11-26-13-15-28-16-14-26/h3-10H,11-17H2,1-2H3,(H,23,24)/p+1
InChIKeyJWXOPZMSWSIVNG-UHFFFAOYSA-O
XLogP1.63
TPSA46.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine;dihydrochloride
CID 2870437
2-[2-[[4-(diethylamino)phenyl]methylamino]benzimidazol-1-yl]ethyl-diethylazanium
CID 7010805
N-[1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]acetamide
CID 5085536
4-iodo-1-methyl-N-[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide
CID 4750046
1-[2-(diethylamino)ethyl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]benzimidazol-2-amine
CID 75446132
1-(2-morpholin-4-ylethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride
CID 171700310
N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(diethylamino)ethyl]benzimidazol-2-amine
CID 2967680
N-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 7013067
N,1-bis[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 11595468
4-[(1-butylbenzimidazol-2-yl)methyl]morpholin-4-ium
CID 7366616
2-[2-(1H-pyrrol-3-ylmethylamino)benzimidazol-1-yl]ethanol
CID 115144119
1-ethyl-N-(2-morpholin-4-ylethyl)benzimidazol-2-amine;dihydrochloride
CID 44888954

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-amine?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-amine (CID 7342816) is N-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-amine.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-amine?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-amine is CN(C)c1ccc(CNc2nc3ccccc3n2CC[NH+]2CCOCC2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-amine?
The InChIKey is JWXOPZMSWSIVNG-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H29N5O/c1-25(2)19-9-7-18(8-10-19)17-23-22-24-20-5-3-4-6-21(20)27(22)12-11-26-13-15-28-16-14-26/h3-10H,11-17H2,1-2H3,(H,23,24)/p+1.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-amine?
N-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-amine has a molecular weight of 380.52 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-amine is sourced from PubChem (CID 7342816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).