2-(3-chlorophenyl)-N-[6-(4-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine

C25H22ClN5O — CID 67004907

IUPAC2-(3-chlorophenyl)-N-[6-(4-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine
SMILESCc1ncoc1-c1ccc(Nc2cccc3c2nc(-c2cccc(Cl)c2)n3C(C)C)cn1
InChIInChI=1S/C25H22ClN5O/c1-15(2)31-22-9-5-8-20(23(22)30-25(31)17-6-4-7-18(26)12-17)29-19-10-11-21(27-13-19)24-16(3)28-14-32-24/h4-15,29H,1-3H3
InChIKeyZDVBPRHSURGBCV-UHFFFAOYSA-N
MW443.94 g/mol
LogP7.04
Rot. Bonds5

About 2-(3-chlorophenyl)-N-[6-(4-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine

2-(3-chlorophenyl)-N-[6-(4-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine (PubChem CID 67004907) has the molecular formula C25H22ClN5O and a molecular weight of 443.94 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[6-(4-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[6-(4-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine
PubChem CID67004907
Molecular FormulaC25H22ClN5O
Molecular Weight443.94 g/mol
Exact Mass443.15
IUPAC Name2-(3-chlorophenyl)-N-[6-(4-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine
SMILESCc1ncoc1-c1ccc(Nc2cccc3c2nc(-c2cccc(Cl)c2)n3C(C)C)cn1
InChIInChI=1S/C25H22ClN5O/c1-15(2)31-22-9-5-8-20(23(22)30-25(31)17-6-4-7-18(26)12-17)29-19-10-11-21(27-13-19)24-16(3)28-14-32-24/h4-15,29H,1-3H3
InChIKeyZDVBPRHSURGBCV-UHFFFAOYSA-N
XLogP7.04
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.94
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[6-(4-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine?
The IUPAC name of 2-(3-chlorophenyl)-N-[6-(4-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine (CID 67004907) is 2-(3-chlorophenyl)-N-[6-(4-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[6-(4-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine?
The canonical SMILES for 2-(3-chlorophenyl)-N-[6-(4-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine is Cc1ncoc1-c1ccc(Nc2cccc3c2nc(-c2cccc(Cl)c2)n3C(C)C)cn1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[6-(4-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine?
The InChIKey is ZDVBPRHSURGBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O/c1-15(2)31-22-9-5-8-20(23(22)30-25(31)17-6-4-7-18(26)12-17)29-19-10-11-21(27-13-19)24-16(3)28-14-32-24/h4-15,29H,1-3H3.
What are the key properties of 2-(3-chlorophenyl)-N-[6-(4-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine?
2-(3-chlorophenyl)-N-[6-(4-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine has a molecular weight of 443.94 g/mol, XLogP of 7.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[6-(4-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine is sourced from PubChem (CID 67004907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).