N-(3-morpholin-4-ium-4-ylpropyl)-1H-benzimidazol-2-amine

C14H21N4O+ — CID 7005670

IUPACN-(3-morpholin-4-ium-4-ylpropyl)-1H-benzimidazol-2-amine
SMILESc1ccc2[nH]c(NCCC[NH+]3CCOCC3)nc2c1
InChIInChI=1S/C14H20N4O/c1-2-5-13-12(4-1)16-14(17-13)15-6-3-7-18-8-10-19-11-9-18/h1-2,4-5H,3,6-11H2,(H2,15,16,17)/p+1
InChIKeyPABPIVSFSIPKPT-UHFFFAOYSA-O
MW261.35 g/mol
LogP0.28
Rot. Bonds5

About N-(3-morpholin-4-ium-4-ylpropyl)-1H-benzimidazol-2-amine

N-(3-morpholin-4-ium-4-ylpropyl)-1H-benzimidazol-2-amine (PubChem CID 7005670) has the molecular formula C14H21N4O+ and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(3-morpholin-4-ium-4-ylpropyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ium-4-ylpropyl)-1H-benzimidazol-2-amine
PubChem CID7005670
Molecular FormulaC14H21N4O+
Molecular Weight261.35 g/mol
Exact Mass261.17
IUPAC NameN-(3-morpholin-4-ium-4-ylpropyl)-1H-benzimidazol-2-amine
SMILESc1ccc2[nH]c(NCCC[NH+]3CCOCC3)nc2c1
InChIInChI=1S/C14H20N4O/c1-2-5-13-12(4-1)16-14(17-13)15-6-3-7-18-8-10-19-11-9-18/h1-2,4-5H,3,6-11H2,(H2,15,16,17)/p+1
InChIKeyPABPIVSFSIPKPT-UHFFFAOYSA-O
XLogP0.28
TPSA54.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-1H-benzimidazol-2-amine
CID 119092998
N-(4,4,4-trifluorobutyl)-1H-benzimidazol-2-amine
CID 113327793
N'-(1H-benzimidazol-2-yl)propane-1,3-diamine
CID 11593576
N-pentyl-1H-benzimidazol-2-amine;hydrochloride
CID 174826614
N-(2-fluoroethyl)-1H-benzimidazol-2-amine
CID 91044936
N-[4-(1,2,4-triazol-4-yl)butyl]-1H-benzimidazol-2-amine
CID 133410530
ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327
3-[3-(1H-benzimidazol-2-ylamino)propyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137273620
4-methyl-N-(3-morpholin-4-ium-4-ylpropyl)phthalazin-1-amine
CID 7830964
N-(2-methoxyethyl)-1H-benzimidazol-2-amine
CID 16653132
N-[(2-morpholin-4-ylphenyl)methyl]-1H-benzimidazol-2-amine
CID 133409906
2-(2-morpholin-4-ium-4-ylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
CID 137160091

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ium-4-ylpropyl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(3-morpholin-4-ium-4-ylpropyl)-1H-benzimidazol-2-amine (CID 7005670) is N-(3-morpholin-4-ium-4-ylpropyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(3-morpholin-4-ium-4-ylpropyl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(3-morpholin-4-ium-4-ylpropyl)-1H-benzimidazol-2-amine is c1ccc2[nH]c(NCCC[NH+]3CCOCC3)nc2c1.
What is the InChIKey of N-(3-morpholin-4-ium-4-ylpropyl)-1H-benzimidazol-2-amine?
The InChIKey is PABPIVSFSIPKPT-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H20N4O/c1-2-5-13-12(4-1)16-14(17-13)15-6-3-7-18-8-10-19-11-9-18/h1-2,4-5H,3,6-11H2,(H2,15,16,17)/p+1.
What are the key properties of N-(3-morpholin-4-ium-4-ylpropyl)-1H-benzimidazol-2-amine?
N-(3-morpholin-4-ium-4-ylpropyl)-1H-benzimidazol-2-amine has a molecular weight of 261.35 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ium-4-ylpropyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 7005670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).