N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-(dimethylamino)acetamide

C23H23BrN6O2 — CID 59789972

IUPACN-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1cc(Oc2ccc3c(c2)nc(Nc2ccc(Br)cc2)n3C)ccn1
InChIInChI=1S/C23H23BrN6O2/c1-29(2)14-22(31)28-21-13-18(10-11-25-21)32-17-8-9-20-19(12-17)27-23(30(20)3)26-16-6-4-15(24)5-7-16/h4-13H,14H2,1-3H3,(H,26,27)(H,25,28,31)
InChIKeyMFHTYVXTDAFVRD-UHFFFAOYSA-N
MW495.38 g/mol
LogP4.77
Rot. Bonds7

About N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-(dimethylamino)acetamide

N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-(dimethylamino)acetamide (PubChem CID 59789972) has the molecular formula C23H23BrN6O2 and a molecular weight of 495.38 g/mol. Its IUPAC name is N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-(dimethylamino)acetamide
PubChem CID59789972
Molecular FormulaC23H23BrN6O2
Molecular Weight495.38 g/mol
Exact Mass494.11
IUPAC NameN-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1cc(Oc2ccc3c(c2)nc(Nc2ccc(Br)cc2)n3C)ccn1
InChIInChI=1S/C23H23BrN6O2/c1-29(2)14-22(31)28-21-13-18(10-11-25-21)32-17-8-9-20-19(12-17)27-23(30(20)3)26-16-6-4-15(24)5-7-16/h4-13H,14H2,1-3H3,(H,26,27)(H,25,28,31)
InChIKeyMFHTYVXTDAFVRD-UHFFFAOYSA-N
XLogP4.77
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.38
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-(dimethylamino)acetamide (CID 59789972) is N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-(dimethylamino)acetamide is CN(C)CC(=O)Nc1cc(Oc2ccc3c(c2)nc(Nc2ccc(Br)cc2)n3C)ccn1.
What is the InChIKey of N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-(dimethylamino)acetamide?
The InChIKey is MFHTYVXTDAFVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN6O2/c1-29(2)14-22(31)28-21-13-18(10-11-25-21)32-17-8-9-20-19(12-17)27-23(30(20)3)26-16-6-4-15(24)5-7-16/h4-13H,14H2,1-3H3,(H,26,27)(H,25,28,31).
What are the key properties of N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-(dimethylamino)acetamide?
N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-(dimethylamino)acetamide has a molecular weight of 495.38 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 59789972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).