N-[1-(3-aminophenyl)-5-(hydroxymethyl)benzimidazol-2-yl]pyrimidine-5-carboxamide

C19H16N6O2 — CID 126737493

IUPACN-[1-(3-aminophenyl)-5-(hydroxymethyl)benzimidazol-2-yl]pyrimidine-5-carboxamide
SMILESNc1cccc(-n2c(NC(=O)c3cncnc3)nc3cc(CO)ccc32)c1
InChIInChI=1S/C19H16N6O2/c20-14-2-1-3-15(7-14)25-17-5-4-12(10-26)6-16(17)23-19(25)24-18(27)13-8-21-11-22-9-13/h1-9,11,26H,10,20H2,(H,23,24,27)
InChIKeyVFFDTYRIQLAXES-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.14
Rot. Bonds4

About N-[1-(3-aminophenyl)-5-(hydroxymethyl)benzimidazol-2-yl]pyrimidine-5-carboxamide

N-[1-(3-aminophenyl)-5-(hydroxymethyl)benzimidazol-2-yl]pyrimidine-5-carboxamide (PubChem CID 126737493) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)-5-(hydroxymethyl)benzimidazol-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)-5-(hydroxymethyl)benzimidazol-2-yl]pyrimidine-5-carboxamide
PubChem CID126737493
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC NameN-[1-(3-aminophenyl)-5-(hydroxymethyl)benzimidazol-2-yl]pyrimidine-5-carboxamide
SMILESNc1cccc(-n2c(NC(=O)c3cncnc3)nc3cc(CO)ccc32)c1
InChIInChI=1S/C19H16N6O2/c20-14-2-1-3-15(7-14)25-17-5-4-12(10-26)6-16(17)23-19(25)24-18(27)13-8-21-11-22-9-13/h1-9,11,26H,10,20H2,(H,23,24,27)
InChIKeyVFFDTYRIQLAXES-UHFFFAOYSA-N
XLogP2.14
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[1-(3-aminophenyl)-5-(hydroxymethyl)benzimidazol-2-yl]pyrimidine-5-carboxamide 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 N-[1-(3-aminophenyl)-5-(hydroxymethyl)benzimidazol-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-[1-(3-aminophenyl)-5-(hydroxymethyl)benzimidazol-2-yl]pyrimidine-5-carboxamide (CID 126737493) is N-[1-(3-aminophenyl)-5-(hydroxymethyl)benzimidazol-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(3-aminophenyl)-5-(hydroxymethyl)benzimidazol-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(3-aminophenyl)-5-(hydroxymethyl)benzimidazol-2-yl]pyrimidine-5-carboxamide is Nc1cccc(-n2c(NC(=O)c3cncnc3)nc3cc(CO)ccc32)c1.
What is the InChIKey of N-[1-(3-aminophenyl)-5-(hydroxymethyl)benzimidazol-2-yl]pyrimidine-5-carboxamide?
The InChIKey is VFFDTYRIQLAXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c20-14-2-1-3-15(7-14)25-17-5-4-12(10-26)6-16(17)23-19(25)24-18(27)13-8-21-11-22-9-13/h1-9,11,26H,10,20H2,(H,23,24,27).
What are the key properties of N-[1-(3-aminophenyl)-5-(hydroxymethyl)benzimidazol-2-yl]pyrimidine-5-carboxamide?
N-[1-(3-aminophenyl)-5-(hydroxymethyl)benzimidazol-2-yl]pyrimidine-5-carboxamide has a molecular weight of 360.38 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)-5-(hydroxymethyl)benzimidazol-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 126737493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).