5-[6-[(aminomethylamino)methyl]-1H-benzimidazol-2-yl]-3-(4-chlorophenyl)-1H-pyrazol-4-ol

C18H17ClN6O — CID 137285581

IUPAC5-[6-[(aminomethylamino)methyl]-1H-benzimidazol-2-yl]-3-(4-chlorophenyl)-1H-pyrazol-4-ol
SMILESNCNCc1ccc2nc(-c3[nH]nc(-c4ccc(Cl)cc4)c3O)[nH]c2c1
InChIInChI=1S/C18H17ClN6O/c19-12-4-2-11(3-5-12)15-17(26)16(25-24-15)18-22-13-6-1-10(8-21-9-20)7-14(13)23-18/h1-7,21,26H,8-9,20H2,(H,22,23)(H,24,25)
InChIKeyBPHFAYWBGGXBNH-UHFFFAOYSA-N
MW368.83 g/mol
LogP2.98
Rot. Bonds5

About 5-[6-[(aminomethylamino)methyl]-1H-benzimidazol-2-yl]-3-(4-chlorophenyl)-1H-pyrazol-4-ol

5-[6-[(aminomethylamino)methyl]-1H-benzimidazol-2-yl]-3-(4-chlorophenyl)-1H-pyrazol-4-ol (PubChem CID 137285581) has the molecular formula C18H17ClN6O and a molecular weight of 368.83 g/mol. Its IUPAC name is 5-[6-[(aminomethylamino)methyl]-1H-benzimidazol-2-yl]-3-(4-chlorophenyl)-1H-pyrazol-4-ol.

Molecular Properties

Compound Name5-[6-[(aminomethylamino)methyl]-1H-benzimidazol-2-yl]-3-(4-chlorophenyl)-1H-pyrazol-4-ol
PubChem CID137285581
Molecular FormulaC18H17ClN6O
Molecular Weight368.83 g/mol
Exact Mass368.12
IUPAC Name5-[6-[(aminomethylamino)methyl]-1H-benzimidazol-2-yl]-3-(4-chlorophenyl)-1H-pyrazol-4-ol
SMILESNCNCc1ccc2nc(-c3[nH]nc(-c4ccc(Cl)cc4)c3O)[nH]c2c1
InChIInChI=1S/C18H17ClN6O/c19-12-4-2-11(3-5-12)15-17(26)16(25-24-15)18-22-13-6-1-10(8-21-9-20)7-14(13)23-18/h1-7,21,26H,8-9,20H2,(H,22,23)(H,24,25)
InChIKeyBPHFAYWBGGXBNH-UHFFFAOYSA-N
XLogP2.98
TPSA115.64 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.83
LogP ≤ 52.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-[6-[(aminomethylamino)methyl]-1H-benzimidazol-2-yl]-3-(4-chlorophenyl)-1H-pyrazol-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(aminomethylamino)methyl]-1H-benzimidazol-2-yl]-3-(4-chlorophenyl)-1H-pyrazol-4-ol?
The IUPAC name of 5-[6-[(aminomethylamino)methyl]-1H-benzimidazol-2-yl]-3-(4-chlorophenyl)-1H-pyrazol-4-ol (CID 137285581) is 5-[6-[(aminomethylamino)methyl]-1H-benzimidazol-2-yl]-3-(4-chlorophenyl)-1H-pyrazol-4-ol.
What is the SMILES notation for 5-[6-[(aminomethylamino)methyl]-1H-benzimidazol-2-yl]-3-(4-chlorophenyl)-1H-pyrazol-4-ol?
The canonical SMILES for 5-[6-[(aminomethylamino)methyl]-1H-benzimidazol-2-yl]-3-(4-chlorophenyl)-1H-pyrazol-4-ol is NCNCc1ccc2nc(-c3[nH]nc(-c4ccc(Cl)cc4)c3O)[nH]c2c1.
What is the InChIKey of 5-[6-[(aminomethylamino)methyl]-1H-benzimidazol-2-yl]-3-(4-chlorophenyl)-1H-pyrazol-4-ol?
The InChIKey is BPHFAYWBGGXBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6O/c19-12-4-2-11(3-5-12)15-17(26)16(25-24-15)18-22-13-6-1-10(8-21-9-20)7-14(13)23-18/h1-7,21,26H,8-9,20H2,(H,22,23)(H,24,25).
What are the key properties of 5-[6-[(aminomethylamino)methyl]-1H-benzimidazol-2-yl]-3-(4-chlorophenyl)-1H-pyrazol-4-ol?
5-[6-[(aminomethylamino)methyl]-1H-benzimidazol-2-yl]-3-(4-chlorophenyl)-1H-pyrazol-4-ol has a molecular weight of 368.83 g/mol, XLogP of 2.98, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(aminomethylamino)methyl]-1H-benzimidazol-2-yl]-3-(4-chlorophenyl)-1H-pyrazol-4-ol is sourced from PubChem (CID 137285581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).