4-N-[2-[4-[(2-methyl-4-pyridinyl)amino]phenyl]-3H-benzimidazol-5-yl]pyrimidine-2,4-diamine

C23H20N8 — CID 126676641

IUPAC4-N-[2-[4-[(2-methyl-4-pyridinyl)amino]phenyl]-3H-benzimidazol-5-yl]pyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(-c3nc4ccc(Nc5ccnc(N)n5)cc4[nH]3)cc2)ccn1
InChIInChI=1S/C23H20N8/c1-14-12-18(8-10-25-14)27-16-4-2-15(3-5-16)22-29-19-7-6-17(13-20(19)30-22)28-21-9-11-26-23(24)31-21/h2-13H,1H3,(H,25,27)(H,29,30)(H3,24,26,28,31)
InChIKeyRWSNMAOMLQELFN-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.79
Rot. Bonds5

About 4-N-[2-[4-[(2-methyl-4-pyridinyl)amino]phenyl]-3H-benzimidazol-5-yl]pyrimidine-2,4-diamine

4-N-[2-[4-[(2-methyl-4-pyridinyl)amino]phenyl]-3H-benzimidazol-5-yl]pyrimidine-2,4-diamine (PubChem CID 126676641) has the molecular formula C23H20N8 and a molecular weight of 408.47 g/mol. Its IUPAC name is 4-N-[2-[4-[(2-methyl-4-pyridinyl)amino]phenyl]-3H-benzimidazol-5-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[4-[(2-methyl-4-pyridinyl)amino]phenyl]-3H-benzimidazol-5-yl]pyrimidine-2,4-diamine
PubChem CID126676641
Molecular FormulaC23H20N8
Molecular Weight408.47 g/mol
Exact Mass408.18
IUPAC Name4-N-[2-[4-[(2-methyl-4-pyridinyl)amino]phenyl]-3H-benzimidazol-5-yl]pyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(-c3nc4ccc(Nc5ccnc(N)n5)cc4[nH]3)cc2)ccn1
InChIInChI=1S/C23H20N8/c1-14-12-18(8-10-25-14)27-16-4-2-15(3-5-16)22-29-19-7-6-17(13-20(19)30-22)28-21-9-11-26-23(24)31-21/h2-13H,1H3,(H,25,27)(H,29,30)(H3,24,26,28,31)
InChIKeyRWSNMAOMLQELFN-UHFFFAOYSA-N
XLogP4.79
TPSA117.43 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-N-[2-[4-[(2-methyl-4-pyridinyl)amino]phenyl]-3H-benzimidazol-5-yl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-[2-[4-(quinolin-4-ylamino)phenyl]-3H-benzimidazol-5-yl]pyrimidine-2,4-diamine
CID 126649657
N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide
CID 157043527
4-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]anilino]quinoline-6-carboxylic acid
CID 157043847
6-(azetidin-1-yl)-N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]phenyl]quinolin-4-amine
CID 157043799
6-(3-fluoroazetidin-1-yl)-N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]phenyl]quinolin-4-amine
CID 157043355
N-pyrimidin-4-yl-2-[4-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine
CID 168807090
N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]-2-pyridinyl]-6-morpholin-4-ylquinolin-4-amine
CID 166833035
4-N-[3-(4-aminophenyl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
CID 59024291
5-[(2-aminopyrimidin-4-yl)amino]-3H-1,3-benzoxazol-2-one
CID 67144223
4-N-(2-methyl-3H-benzimidazol-5-yl)benzene-1,4-diamine
CID 12730721
N-[4-[6-(2-aminopyrimidin-4-yl)oxy-1H-benzimidazol-2-yl]phenyl]quinolin-4-amine
CID 126649648
6-fluoro-2-(2-methyl-4-pyridinyl)-1H-benzimidazole
CID 106753306

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[4-[(2-methyl-4-pyridinyl)amino]phenyl]-3H-benzimidazol-5-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-[4-[(2-methyl-4-pyridinyl)amino]phenyl]-3H-benzimidazol-5-yl]pyrimidine-2,4-diamine (CID 126676641) is 4-N-[2-[4-[(2-methyl-4-pyridinyl)amino]phenyl]-3H-benzimidazol-5-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-[4-[(2-methyl-4-pyridinyl)amino]phenyl]-3H-benzimidazol-5-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-[4-[(2-methyl-4-pyridinyl)amino]phenyl]-3H-benzimidazol-5-yl]pyrimidine-2,4-diamine is Cc1cc(Nc2ccc(-c3nc4ccc(Nc5ccnc(N)n5)cc4[nH]3)cc2)ccn1.
What is the InChIKey of 4-N-[2-[4-[(2-methyl-4-pyridinyl)amino]phenyl]-3H-benzimidazol-5-yl]pyrimidine-2,4-diamine?
The InChIKey is RWSNMAOMLQELFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8/c1-14-12-18(8-10-25-14)27-16-4-2-15(3-5-16)22-29-19-7-6-17(13-20(19)30-22)28-21-9-11-26-23(24)31-21/h2-13H,1H3,(H,25,27)(H,29,30)(H3,24,26,28,31).
What are the key properties of 4-N-[2-[4-[(2-methyl-4-pyridinyl)amino]phenyl]-3H-benzimidazol-5-yl]pyrimidine-2,4-diamine?
4-N-[2-[4-[(2-methyl-4-pyridinyl)amino]phenyl]-3H-benzimidazol-5-yl]pyrimidine-2,4-diamine has a molecular weight of 408.47 g/mol, XLogP of 4.79, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[4-[(2-methyl-4-pyridinyl)amino]phenyl]-3H-benzimidazol-5-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 126676641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).