3-[[4-[(1-methylbenzimidazol-5-yl)amino]pyrimidin-2-yl]amino]benzamide

C19H17N7O — CID 25138038

IUPAC3-[[4-[(1-methylbenzimidazol-5-yl)amino]pyrimidin-2-yl]amino]benzamide
SMILESCn1cnc2cc(Nc3ccnc(Nc4cccc(C(N)=O)c4)n3)ccc21
InChIInChI=1S/C19H17N7O/c1-26-11-22-15-10-14(5-6-16(15)26)23-17-7-8-21-19(25-17)24-13-4-2-3-12(9-13)18(20)27/h2-11H,1H3,(H2,20,27)(H2,21,23,24,25)
InChIKeyDKRWNOCNKJWJED-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.95
Rot. Bonds5

About 3-[[4-[(1-methylbenzimidazol-5-yl)amino]pyrimidin-2-yl]amino]benzamide

3-[[4-[(1-methylbenzimidazol-5-yl)amino]pyrimidin-2-yl]amino]benzamide (PubChem CID 25138038) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is 3-[[4-[(1-methylbenzimidazol-5-yl)amino]pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound Name3-[[4-[(1-methylbenzimidazol-5-yl)amino]pyrimidin-2-yl]amino]benzamide
PubChem CID25138038
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name3-[[4-[(1-methylbenzimidazol-5-yl)amino]pyrimidin-2-yl]amino]benzamide
SMILESCn1cnc2cc(Nc3ccnc(Nc4cccc(C(N)=O)c4)n3)ccc21
InChIInChI=1S/C19H17N7O/c1-26-11-22-15-10-14(5-6-16(15)26)23-17-7-8-21-19(25-17)24-13-4-2-3-12(9-13)18(20)27/h2-11H,1H3,(H2,20,27)(H2,21,23,24,25)
InChIKeyDKRWNOCNKJWJED-UHFFFAOYSA-N
XLogP2.95
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(1-methylbenzimidazol-5-yl)amino]pyrimidin-2-yl]amino]benzamide?
The IUPAC name of 3-[[4-[(1-methylbenzimidazol-5-yl)amino]pyrimidin-2-yl]amino]benzamide (CID 25138038) is 3-[[4-[(1-methylbenzimidazol-5-yl)amino]pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for 3-[[4-[(1-methylbenzimidazol-5-yl)amino]pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for 3-[[4-[(1-methylbenzimidazol-5-yl)amino]pyrimidin-2-yl]amino]benzamide is Cn1cnc2cc(Nc3ccnc(Nc4cccc(C(N)=O)c4)n3)ccc21.
What is the InChIKey of 3-[[4-[(1-methylbenzimidazol-5-yl)amino]pyrimidin-2-yl]amino]benzamide?
The InChIKey is DKRWNOCNKJWJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O/c1-26-11-22-15-10-14(5-6-16(15)26)23-17-7-8-21-19(25-17)24-13-4-2-3-12(9-13)18(20)27/h2-11H,1H3,(H2,20,27)(H2,21,23,24,25).
What are the key properties of 3-[[4-[(1-methylbenzimidazol-5-yl)amino]pyrimidin-2-yl]amino]benzamide?
3-[[4-[(1-methylbenzimidazol-5-yl)amino]pyrimidin-2-yl]amino]benzamide has a molecular weight of 359.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(1-methylbenzimidazol-5-yl)amino]pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 25138038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).