N-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-1H-benzimidazol-2-amine

C22H22N6O2 — CID 70975381

IUPACN-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-1H-benzimidazol-2-amine
SMILESCOc1cnc(-c2ccc(Nc3nc4ccccc4[nH]3)cc2)nc1N1CCOCC1
InChIInChI=1S/C22H22N6O2/c1-29-19-14-23-20(27-21(19)28-10-12-30-13-11-28)15-6-8-16(9-7-15)24-22-25-17-4-2-3-5-18(17)26-22/h2-9,14H,10-13H2,1H3,(H2,24,25,26)
InChIKeyAGULRUKBCGPQSC-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.61
Rot. Bonds5

About N-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-1H-benzimidazol-2-amine

N-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-1H-benzimidazol-2-amine (PubChem CID 70975381) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is N-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-1H-benzimidazol-2-amine
PubChem CID70975381
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC NameN-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-1H-benzimidazol-2-amine
SMILESCOc1cnc(-c2ccc(Nc3nc4ccccc4[nH]3)cc2)nc1N1CCOCC1
InChIInChI=1S/C22H22N6O2/c1-29-19-14-23-20(27-21(19)28-10-12-30-13-11-28)15-6-8-16(9-7-15)24-22-25-17-4-2-3-5-18(17)26-22/h2-9,14H,10-13H2,1H3,(H2,24,25,26)
InChIKeyAGULRUKBCGPQSC-UHFFFAOYSA-N
XLogP3.61
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(5-methoxy-2-phenylpyrimidin-4-yl)morpholine
CID 3329093
4-[5-methoxy-2-[4-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenoxy]phenyl]pyrimidin-4-yl]morpholine
CID 142765179
1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 87343885
[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl] N-amino-N-phenylcarbamate
CID 151436161
ethane;N-(4-methylphenyl)-1H-benzimidazol-2-amine
CID 143181783
6-methyl-N-(4-morpholin-4-ylphenyl)-1H-benzimidazol-2-amine
CID 110376992
4-(5-chloro-2-phenylpyrimidin-4-yl)morpholine
CID 121004493
N-(3-ethyl-4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 115143741
4-(1H-benzimidazol-2-ylamino)benzoic acid
CID 10332480
N-[5-(4-chloro-3-methoxyphenyl)pyrimidin-2-yl]-1H-benzimidazol-2-amine
CID 155008905
5-methoxy-2-pyridin-2-yl-4-pyrrolidin-1-ylpyrimidine
CID 1470848
4-(1H-benzimidazol-2-ylamino)benzoic acid;bromomethane
CID 159345734

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-1H-benzimidazol-2-amine (CID 70975381) is N-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-1H-benzimidazol-2-amine is COc1cnc(-c2ccc(Nc3nc4ccccc4[nH]3)cc2)nc1N1CCOCC1.
What is the InChIKey of N-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-1H-benzimidazol-2-amine?
The InChIKey is AGULRUKBCGPQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-29-19-14-23-20(27-21(19)28-10-12-30-13-11-28)15-6-8-16(9-7-15)24-22-25-17-4-2-3-5-18(17)26-22/h2-9,14H,10-13H2,1H3,(H2,24,25,26).
What are the key properties of N-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-1H-benzimidazol-2-amine?
N-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-1H-benzimidazol-2-amine has a molecular weight of 402.46 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 70975381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).