2-[4-aminobutyl(1H-benzimidazol-2-ylmethyl)amino]-2-pyridin-2-ylethanol

C19H25N5O — CID 58997063

IUPAC2-[4-aminobutyl(1H-benzimidazol-2-ylmethyl)amino]-2-pyridin-2-ylethanol
SMILESNCCCCN(Cc1nc2ccccc2[nH]1)C(CO)c1ccccn1
InChIInChI=1S/C19H25N5O/c20-10-4-6-12-24(18(14-25)17-9-3-5-11-21-17)13-19-22-15-7-1-2-8-16(15)23-19/h1-3,5,7-9,11,18,25H,4,6,10,12-14,20H2,(H,22,23)
InChIKeyRAWWFLHOQMFSEG-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.23
Rot. Bonds9

About 2-[4-aminobutyl(1H-benzimidazol-2-ylmethyl)amino]-2-pyridin-2-ylethanol

2-[4-aminobutyl(1H-benzimidazol-2-ylmethyl)amino]-2-pyridin-2-ylethanol (PubChem CID 58997063) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[4-aminobutyl(1H-benzimidazol-2-ylmethyl)amino]-2-pyridin-2-ylethanol.

Molecular Properties

Compound Name2-[4-aminobutyl(1H-benzimidazol-2-ylmethyl)amino]-2-pyridin-2-ylethanol
PubChem CID58997063
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-[4-aminobutyl(1H-benzimidazol-2-ylmethyl)amino]-2-pyridin-2-ylethanol
SMILESNCCCCN(Cc1nc2ccccc2[nH]1)C(CO)c1ccccn1
InChIInChI=1S/C19H25N5O/c20-10-4-6-12-24(18(14-25)17-9-3-5-11-21-17)13-19-22-15-7-1-2-8-16(15)23-19/h1-3,5,7-9,11,18,25H,4,6,10,12-14,20H2,(H,22,23)
InChIKeyRAWWFLHOQMFSEG-UHFFFAOYSA-N
XLogP2.23
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(1H-benzimidazol-2-ylmethyl)-N'-(1-pyridin-2-ylpropyl)butane-1,4-diamine
CID 53325567
N'-(1H-benzimidazol-2-ylmethyl)-N'-(2-methyl-1-pyridin-2-ylpropyl)butane-1,4-diamine
CID 53318415
N'-(1H-benzimidazol-2-ylmethyl)-N'-(2-pyridin-2-ylpropan-2-yl)butane-1,4-diamine
CID 53326309
N'-(1H-benzimidazol-2-ylmethyl)-N'-methylpropane-1,3-diamine
CID 115319140
N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine;trihydrochloride
CID 138756132
N'-(1H-benzimidazol-2-ylmethyl)-N'-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)butane-1,4-diamine;hydrochloride
CID 175826094
2-amino-3-(1H-benzimidazol-2-yl)propan-1-ol
CID 134585016
N-(1H-benzimidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide
CID 36516329
N',N'-bis(1-pyridin-2-ylethyl)butane-1,4-diamine
CID 58997062
3-(1H-benzimidazol-2-ylmethylsulfanyl)propan-1-amine
CID 66220038
N'-[(5-deuterio-1H-benzimidazol-2-yl)methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
CID 162702137
2-[1H-benzimidazol-2-ylmethyl(butyl)amino]ethanol
CID 60689151

Frequently Asked Questions

What is the IUPAC name of 2-[4-aminobutyl(1H-benzimidazol-2-ylmethyl)amino]-2-pyridin-2-ylethanol?
The IUPAC name of 2-[4-aminobutyl(1H-benzimidazol-2-ylmethyl)amino]-2-pyridin-2-ylethanol (CID 58997063) is 2-[4-aminobutyl(1H-benzimidazol-2-ylmethyl)amino]-2-pyridin-2-ylethanol.
What is the SMILES notation for 2-[4-aminobutyl(1H-benzimidazol-2-ylmethyl)amino]-2-pyridin-2-ylethanol?
The canonical SMILES for 2-[4-aminobutyl(1H-benzimidazol-2-ylmethyl)amino]-2-pyridin-2-ylethanol is NCCCCN(Cc1nc2ccccc2[nH]1)C(CO)c1ccccn1.
What is the InChIKey of 2-[4-aminobutyl(1H-benzimidazol-2-ylmethyl)amino]-2-pyridin-2-ylethanol?
The InChIKey is RAWWFLHOQMFSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c20-10-4-6-12-24(18(14-25)17-9-3-5-11-21-17)13-19-22-15-7-1-2-8-16(15)23-19/h1-3,5,7-9,11,18,25H,4,6,10,12-14,20H2,(H,22,23).
What are the key properties of 2-[4-aminobutyl(1H-benzimidazol-2-ylmethyl)amino]-2-pyridin-2-ylethanol?
2-[4-aminobutyl(1H-benzimidazol-2-ylmethyl)amino]-2-pyridin-2-ylethanol has a molecular weight of 339.44 g/mol, XLogP of 2.23, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-aminobutyl(1H-benzimidazol-2-ylmethyl)amino]-2-pyridin-2-ylethanol is sourced from PubChem (CID 58997063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).