N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine

C23H19N7O — CID 44581529

IUPACN-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine
SMILESCNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)cc2)n1
InChIInChI=1S/C23H19N7O/c1-24-22-26-14-12-18(28-22)17-5-4-13-25-21(17)31-16-10-8-15(9-11-16)27-23-29-19-6-2-3-7-20(19)30-23/h2-14H,1H3,(H,24,26,28)(H2,27,29,30)
InChIKeyRVZNLBVEAAIVDM-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.99
Rot. Bonds6

About N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine

N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine (PubChem CID 44581529) has the molecular formula C23H19N7O and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine
PubChem CID44581529
Molecular FormulaC23H19N7O
Molecular Weight409.45 g/mol
Exact Mass409.17
IUPAC NameN-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine
SMILESCNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)cc2)n1
InChIInChI=1S/C23H19N7O/c1-24-22-26-14-12-18(28-22)17-5-4-13-25-21(17)31-16-10-8-15(9-11-16)27-23-29-19-6-2-3-7-20(19)30-23/h2-14H,1H3,(H,24,26,28)(H2,27,29,30)
InChIKeyRVZNLBVEAAIVDM-UHFFFAOYSA-N
XLogP4.99
TPSA100.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine with MolForge

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Related Compounds

Raf265
CID 11656518
N-(1-(8-((3-methyl-4-((1-methyl-1H-benzo(d)imidazol-5-yl)oxy)phenyl)amino)pyrimido(5,4-d)pyrimidin-2-yl)piperidin-4-yl)acrylamide
CID 160283094
CP-673451
CID 10158940
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
1-(2-fluoro-4-((5-methyl-5H-pyrrolo(3,2-d)pyrimidin-4-yl)oxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 15949613
N-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1H-benzimidazol-2-amine
CID 16733534
Meriolin 5
CID 23727982
(1-{3-[4-(1h-Benzimidazol-2-Ylamino)phenoxy]pyridin-2-Yl}piperidin-4-Yl)methanol
CID 70679302
N'-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 943137
2,4-Disubstituted Pyrimidine 2g
CID 5329420
6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538782
6-(4-methoxyphenyl)-7-propyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538784

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine (CID 44581529) is N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine is CNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)cc2)n1.
What is the InChIKey of N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine?
The InChIKey is RVZNLBVEAAIVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O/c1-24-22-26-14-12-18(28-22)17-5-4-13-25-21(17)31-16-10-8-15(9-11-16)27-23-29-19-6-2-3-7-20(19)30-23/h2-14H,1H3,(H,24,26,28)(H2,27,29,30).
What are the key properties of N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine?
N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine has a molecular weight of 409.45 g/mol, XLogP of 4.99, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 44581529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).