[5-amino-1-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methanol

C13H19N5O — CID 83024690

IUPAC[5-amino-1-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methanol
SMILESCN1CCN(n2c(CO)nc3cc(N)ccc32)CC1
InChIInChI=1S/C13H19N5O/c1-16-4-6-17(7-5-16)18-12-3-2-10(14)8-11(12)15-13(18)9-19/h2-3,8,19H,4-7,9,14H2,1H3
InChIKeyOHSXADKHGYSBQK-UHFFFAOYSA-N
MW261.33 g/mol
LogP-0.01
Rot. Bonds2

About [5-amino-1-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methanol

[5-amino-1-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methanol (PubChem CID 83024690) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is [5-amino-1-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[5-amino-1-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methanol
PubChem CID83024690
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name[5-amino-1-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methanol
SMILESCN1CCN(n2c(CO)nc3cc(N)ccc32)CC1
InChIInChI=1S/C13H19N5O/c1-16-4-6-17(7-5-16)18-12-3-2-10(14)8-11(12)15-13(18)9-19/h2-3,8,19H,4-7,9,14H2,1H3
InChIKeyOHSXADKHGYSBQK-UHFFFAOYSA-N
XLogP-0.01
TPSA70.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-(4-methylpiperazin-1-yl)benzimidazol-5-amine
CID 83024985
1-piperidin-1-yl-2-propylbenzimidazol-5-amine
CID 83025271
[5-amino-1-(dimethylamino)benzimidazol-2-yl]methanol
CID 83024491
[5-amino-1-(2-methylpropyl)benzimidazol-2-yl]methanol
CID 62591105
1-(4-methylpiperazin-1-yl)benzimidazol-5-amine
CID 83024984
[5-amino-1-(3-ethoxypropyl)benzimidazol-2-yl]methanol
CID 62589251
2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]ethanesulfonamide
CID 55091658
3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide
CID 79401244
(5-amino-1-pentan-2-ylbenzimidazol-2-yl)methanol
CID 62594152
2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylacetamide
CID 62595456
2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol
CID 62493612
5,6-dichloro-1-(4-methylpiperazin-1-yl)benzimidazol-2-amine
CID 83017965

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methanol?
The IUPAC name of [5-amino-1-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methanol (CID 83024690) is [5-amino-1-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methanol.
What is the SMILES notation for [5-amino-1-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methanol?
The canonical SMILES for [5-amino-1-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methanol is CN1CCN(n2c(CO)nc3cc(N)ccc32)CC1.
What is the InChIKey of [5-amino-1-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methanol?
The InChIKey is OHSXADKHGYSBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-16-4-6-17(7-5-16)18-12-3-2-10(14)8-11(12)15-13(18)9-19/h2-3,8,19H,4-7,9,14H2,1H3.
What are the key properties of [5-amino-1-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methanol?
[5-amino-1-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methanol has a molecular weight of 261.33 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methanol is sourced from PubChem (CID 83024690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).