2-[2-(1H-pyrrol-3-ylmethylamino)benzimidazol-1-yl]ethanol

C14H16N4O — CID 115144119

IUPAC2-[2-(1H-pyrrol-3-ylmethylamino)benzimidazol-1-yl]ethanol
SMILESOCCn1c(NCc2cc[nH]c2)nc2ccccc21
InChIInChI=1S/C14H16N4O/c19-8-7-18-13-4-2-1-3-12(13)17-14(18)16-10-11-5-6-15-9-11/h1-6,9,15,19H,7-8,10H2,(H,16,17)
InChIKeyRCTZOKSSHMGTKK-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.97
Rot. Bonds5

About 2-[2-(1H-pyrrol-3-ylmethylamino)benzimidazol-1-yl]ethanol

2-[2-(1H-pyrrol-3-ylmethylamino)benzimidazol-1-yl]ethanol (PubChem CID 115144119) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[2-(1H-pyrrol-3-ylmethylamino)benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(1H-pyrrol-3-ylmethylamino)benzimidazol-1-yl]ethanol
PubChem CID115144119
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-[2-(1H-pyrrol-3-ylmethylamino)benzimidazol-1-yl]ethanol
SMILESOCCn1c(NCc2cc[nH]c2)nc2ccccc21
InChIInChI=1S/C14H16N4O/c19-8-7-18-13-4-2-1-3-12(13)17-14(18)16-10-11-5-6-15-9-11/h1-6,9,15,19H,7-8,10H2,(H,16,17)
InChIKeyRCTZOKSSHMGTKK-UHFFFAOYSA-N
XLogP1.97
TPSA65.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylbenzimidazol-1-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66410022
N,1-bis[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 11595468
2-[2-(cyclobutylamino)benzimidazol-1-yl]ethanol
CID 115144104
2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol
CID 174213303
2-[(1-benzylbenzimidazol-2-yl)amino]ethanol
CID 2772581
2-[(1-pentylbenzimidazol-2-yl)amino]ethanol
CID 4697809
2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]amino]ethanol chloride
CID 53313615
3-[2-(methylamino)benzimidazol-1-yl]propan-1-ol
CID 82359483
N-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 7013067
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
2-[2-[(5-bromothiophen-2-yl)amino]benzimidazol-1-yl]ethanol
CID 115144095
2-[[(1-hexylbenzimidazol-2-yl)amino]methyl]phenol
CID 3442786

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-pyrrol-3-ylmethylamino)benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-(1H-pyrrol-3-ylmethylamino)benzimidazol-1-yl]ethanol (CID 115144119) is 2-[2-(1H-pyrrol-3-ylmethylamino)benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-(1H-pyrrol-3-ylmethylamino)benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-(1H-pyrrol-3-ylmethylamino)benzimidazol-1-yl]ethanol is OCCn1c(NCc2cc[nH]c2)nc2ccccc21.
What is the InChIKey of 2-[2-(1H-pyrrol-3-ylmethylamino)benzimidazol-1-yl]ethanol?
The InChIKey is RCTZOKSSHMGTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c19-8-7-18-13-4-2-1-3-12(13)17-14(18)16-10-11-5-6-15-9-11/h1-6,9,15,19H,7-8,10H2,(H,16,17).
What are the key properties of 2-[2-(1H-pyrrol-3-ylmethylamino)benzimidazol-1-yl]ethanol?
2-[2-(1H-pyrrol-3-ylmethylamino)benzimidazol-1-yl]ethanol has a molecular weight of 256.31 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-pyrrol-3-ylmethylamino)benzimidazol-1-yl]ethanol is sourced from PubChem (CID 115144119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).