4-[2-(3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]pyrimidin-2-amine

C20H17N5O — CID 44563187

IUPAC4-[2-(3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2ccc3nc(C4COc5ccccc5C4)[nH]c3c2)n1
InChIInChI=1S/C20H17N5O/c21-20-22-8-7-15(25-20)12-5-6-16-17(10-12)24-19(23-16)14-9-13-3-1-2-4-18(13)26-11-14/h1-8,10,14H,9,11H2,(H,23,24)(H2,21,22,25)
InChIKeyWHRSQWOTNWLODD-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.32
Rot. Bonds2

About 4-[2-(3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]pyrimidin-2-amine

4-[2-(3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]pyrimidin-2-amine (PubChem CID 44563187) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-[2-(3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]pyrimidin-2-amine
PubChem CID44563187
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name4-[2-(3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2ccc3nc(C4COc5ccccc5C4)[nH]c3c2)n1
InChIInChI=1S/C20H17N5O/c21-20-22-8-7-15(25-20)12-5-6-16-17(10-12)24-19(23-16)14-9-13-3-1-2-4-18(13)26-11-14/h1-8,10,14H,9,11H2,(H,23,24)(H2,21,22,25)
InChIKeyWHRSQWOTNWLODD-UHFFFAOYSA-N
XLogP3.32
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-(3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]pyrimidin-2-amine 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 4-[2-(3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]pyrimidin-2-amine (CID 44563187) is 4-[2-(3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]pyrimidin-2-amine is Nc1nccc(-c2ccc3nc(C4COc5ccccc5C4)[nH]c3c2)n1.
What is the InChIKey of 4-[2-(3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]pyrimidin-2-amine?
The InChIKey is WHRSQWOTNWLODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c21-20-22-8-7-15(25-20)12-5-6-16-17(10-12)24-19(23-16)14-9-13-3-1-2-4-18(13)26-11-14/h1-8,10,14H,9,11H2,(H,23,24)(H2,21,22,25).
What are the key properties of 4-[2-(3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]pyrimidin-2-amine?
4-[2-(3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]pyrimidin-2-amine has a molecular weight of 343.39 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 44563187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).